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

C74H71Cl4N13O10S6 — CID 158500079

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;[methyl(sulfamoyl)amino]methane;oxolane
SMILESC1CCOC1.CN(C)S(=O)(=O)N=Cc1sc(-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/C18H17ClN4O2S2.C18H16ClN3O2S.C16H11ClN2O2S.C16H11ClN2OS.C4H8O.C2H8N2O2S/c1-23(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/h3-10,12H,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)
InChIKeyHJTXJFYUHDKYBO-UHFFFAOYSA-N
MW1636.68 g/mol
LogP15.71
Rot. Bonds20

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;[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;[methyl(sulfamoyl)amino]methane;oxolane (PubChem CID 158500079) has the molecular formula C74H71Cl4N13O10S6 and a molecular weight of 1636.68 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;[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;[methyl(sulfamoyl)amino]methane;oxolane
PubChem CID158500079
Molecular FormulaC74H71Cl4N13O10S6
Molecular Weight1636.68 g/mol
Exact Mass1633.25
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;[methyl(sulfamoyl)amino]methane;oxolane
SMILESC1CCOC1.CN(C)S(=O)(=O)N=Cc1sc(-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/C18H17ClN4O2S2.C18H16ClN3O2S.C16H11ClN2O2S.C16H11ClN2OS.C4H8O.C2H8N2O2S/c1-23(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/h3-10,12H,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)
InChIKeyHJTXJFYUHDKYBO-UHFFFAOYSA-N
XLogP15.71
TPSA309.40 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.68
LogP ≤ 515.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

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;[methyl(sulfamoyl)amino]methane;oxolane with MolForge

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Related Compounds

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
Lithium;azane;4-[(4-chlorophenyl)methyl]-2-(2-chloro-4-pyridinyl)-1,3-thiazole-5-carboxylic acid;ethyl 4-[(4-chlorophenyl)methyl]-2-(2-chloro-4-pyridinyl)-1,3-thiazole-5-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-2-(1-hydroxypyridin-1-ium-4-yl)-1,3-thiazole-5-carboxylate;ethyl 4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate;phosphoryl trichloride;hydroxide;hydrate
CID 161613244

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;[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;[methyl(sulfamoyl)amino]methane;oxolane (CID 158500079) 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;[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;[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;[methyl(sulfamoyl)amino]methane;oxolane is C1CCOC1.CN(C)S(=O)(=O)N=Cc1sc(-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;[methyl(sulfamoyl)amino]methane;oxolane?
The InChIKey is HJTXJFYUHDKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S2.C18H16ClN3O2S.C16H11ClN2O2S.C16H11ClN2OS.C4H8O.C2H8N2O2S/c1-23(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/h3-10,12H,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;[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;[methyl(sulfamoyl)amino]methane;oxolane has a molecular weight of 1636.68 g/mol, XLogP of 15.71, 20 rotatable bonds, 2 hydrogen bond donors, and 21 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;[methyl(sulfamoyl)amino]methane;oxolane is sourced from PubChem (CID 158500079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).