4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane

C94H89Cl5N18O12S8 — CID 158432813

IUPAC4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane
SMILESC1CCOC1.CN(C)S(=O)(=O)N=Cc1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.CN(C)S(=O)(=O)n1cncc1-c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.CN(C)S(N)(=O)=O.CON(C)C(=O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.O=C(O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.O=Cc1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN5O2S2.C18H17ClN4O2S2.C18H16ClN3O2S.C16H11ClN2O2S.C16H11ClN2OS.C4H8O.C2H8N2O2S/c1-25(2)30(27,28)26-13-23-12-18(26)19-17(11-14-3-5-16(21)6-4-14)24-20(29-19)15-7-9-22-10-8-15;1-23(2)27(24,25)21-12-17-16(11-13-3-5-15(19)6-4-13)22-18(26-17)14-7-9-20-10-8-14;1-22(24-2)18(23)16-15(11-12-3-5-14(19)6-4-12)21-17(25-16)13-7-9-20-10-8-13;17-12-3-1-10(2-4-12)9-13-14(16(20)21)22-15(19-13)11-5-7-18-8-6-11;17-13-3-1-11(2-4-13)9-14-15(10-20)21-16(19-14)12-5-7-18-8-6-12;1-2-4-5-3-1;1-4(2)7(3,5)6/h3-10,12-13H,11H2,1-2H3;3-10,12H,11H2,1-2H3;3-10H,11H2,1-2H3;1-8H,9H2,(H,20,21);1-8,10H,9H2;1-4H2;1-2H3,(H2,3,5,6)
InChIKeyHBWDXCLLOVQOSG-UHFFFAOYSA-N
MW2096.66 g/mol
LogP19.68
Rot. Bonds26

About 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane

4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane (PubChem CID 158432813) has the molecular formula C94H89Cl5N18O12S8 and a molecular weight of 2096.66 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane
PubChem CID158432813
Molecular FormulaC94H89Cl5N18O12S8
Molecular Weight2096.66 g/mol
Exact Mass2092.31
IUPAC Name4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane
SMILESC1CCOC1.CN(C)S(=O)(=O)N=Cc1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.CN(C)S(=O)(=O)n1cncc1-c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.CN(C)S(N)(=O)=O.CON(C)C(=O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.O=C(O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.O=Cc1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN5O2S2.C18H17ClN4O2S2.C18H16ClN3O2S.C16H11ClN2O2S.C16H11ClN2OS.C4H8O.C2H8N2O2S/c1-25(2)30(27,28)26-13-23-12-18(26)19-17(11-14-3-5-16(21)6-4-14)24-20(29-19)15-7-9-22-10-8-15;1-23(2)27(24,25)21-12-17-16(11-13-3-5-15(19)6-4-13)22-18(26-17)14-7-9-20-10-8-14;1-22(24-2)18(23)16-15(11-12-3-5-14(19)6-4-12)21-17(25-16)13-7-9-20-10-8-13;17-12-3-1-10(2-4-12)9-13-14(16(20)21)22-15(19-13)11-5-7-18-8-6-11;17-13-3-1-11(2-4-13)9-14-15(10-20)21-16(19-14)12-5-7-18-8-6-12;1-2-4-5-3-1;1-4(2)7(3,5)6/h3-10,12-13H,11H2,1-2H3;3-10,12H,11H2,1-2H3;3-10H,11H2,1-2H3;1-8H,9H2,(H,20,21);1-8,10H,9H2;1-4H2;1-2H3,(H2,3,5,6)
InChIKeyHBWDXCLLOVQOSG-UHFFFAOYSA-N
XLogP19.68
TPSA390.38 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.66
LogP ≤ 519.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane with MolForge

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Related Compounds

4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;1-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]pent-4-en-1-one;hydrochloride
CID 157435210
4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;[methyl(sulfamoyl)amino]methane;oxolane
CID 158500079

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane (CID 158432813) is 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane is C1CCOC1.CN(C)S(=O)(=O)N=Cc1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.CN(C)S(=O)(=O)n1cncc1-c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.CN(C)S(N)(=O)=O.CON(C)C(=O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.O=C(O)c1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.O=Cc1sc(-c2ccncc2)nc1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane?
The InChIKey is HBWDXCLLOVQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2S2.C18H17ClN4O2S2.C18H16ClN3O2S.C16H11ClN2O2S.C16H11ClN2OS.C4H8O.C2H8N2O2S/c1-25(2)30(27,28)26-13-23-12-18(26)19-17(11-14-3-5-16(21)6-4-14)24-20(29-19)15-7-9-22-10-8-15;1-23(2)27(24,25)21-12-17-16(11-13-3-5-15(19)6-4-13)22-18(26-17)14-7-9-20-10-8-14;1-22(24-2)18(23)16-15(11-12-3-5-14(19)6-4-12)21-17(25-16)13-7-9-20-10-8-13;17-12-3-1-10(2-4-12)9-13-14(16(20)21)22-15(19-13)11-5-7-18-8-6-11;17-13-3-1-11(2-4-13)9-14-15(10-20)21-16(19-14)12-5-7-18-8-6-12;1-2-4-5-3-1;1-4(2)7(3,5)6/h3-10,12-13H,11H2,1-2H3;3-10,12H,11H2,1-2H3;3-10H,11H2,1-2H3;1-8H,9H2,(H,20,21);1-8,10H,9H2;1-4H2;1-2H3,(H2,3,5,6).
What are the key properties of 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane?
4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane has a molecular weight of 2096.66 g/mol, XLogP of 19.68, 26 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyliminomethyl)-2-pyridin-4-yl-1,3-thiazole;4-[(4-chlorophenyl)methyl]-N-methoxy-N-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carbaldehyde;4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid;5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-N,N-dimethylimidazole-1-sulfonamide;[methyl(sulfamoyl)amino]methane;oxolane is sourced from PubChem (CID 158432813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).