N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C41H30Cl4N10O2S2 — CID 159484882

IUPACN-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESC=CCn1ccnc1-c1sc(-c2ccnc(NC(C)=O)c2)nc1-c1ccc(Cl)cc1Cl.CC(=O)Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C22H17Cl2N5OS.C19H13Cl2N5OS/c1-3-9-29-10-8-26-21(29)20-19(16-5-4-15(23)12-17(16)24)28-22(31-20)14-6-7-25-18(11-14)27-13(2)30;1-10(27)25-15-8-11(4-5-22-15)19-26-16(13-3-2-12(20)9-14(13)21)17(28-19)18-23-6-7-24-18/h3-8,10-12H,1,9H2,2H3,(H,25,27,30);2-9H,1H3,(H,23,24)(H,22,25,27)
InChIKeyLXLOTVDDIFGGPS-UHFFFAOYSA-N
MW900.70 g/mol
LogP11.71
Rot. Bonds10

About N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 159484882) has the molecular formula C41H30Cl4N10O2S2 and a molecular weight of 900.70 g/mol. Its IUPAC name is N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
PubChem CID159484882
Molecular FormulaC41H30Cl4N10O2S2
Molecular Weight900.70 g/mol
Exact Mass898.07
IUPAC NameN-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESC=CCn1ccnc1-c1sc(-c2ccnc(NC(C)=O)c2)nc1-c1ccc(Cl)cc1Cl.CC(=O)Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)c(-c3ncc[nH]3)s2)ccn1
InChIInChI=1S/C22H17Cl2N5OS.C19H13Cl2N5OS/c1-3-9-29-10-8-26-21(29)20-19(16-5-4-15(23)12-17(16)24)28-22(31-20)14-6-7-25-18(11-14)27-13(2)30;1-10(27)25-15-8-11(4-5-22-15)19-26-16(13-3-2-12(20)9-14(13)21)17(28-19)18-23-6-7-24-18/h3-8,10-12H,1,9H2,2H3,(H,25,27,30);2-9H,1H3,(H,23,24)(H,22,25,27)
InChIKeyLXLOTVDDIFGGPS-UHFFFAOYSA-N
XLogP11.71
TPSA156.26 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.70
LogP ≤ 511.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 159484882) is N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is C=CCn1ccnc1-c1sc(-c2ccnc(NC(C)=O)c2)nc1-c1ccc(Cl)cc1Cl.CC(=O)Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)c(-c3ncc[nH]3)s2)ccn1.
What is the InChIKey of N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is LXLOTVDDIFGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5OS.C19H13Cl2N5OS/c1-3-9-29-10-8-26-21(29)20-19(16-5-4-15(23)12-17(16)24)28-22(31-20)14-6-7-25-18(11-14)27-13(2)30;1-10(27)25-15-8-11(4-5-22-15)19-26-16(13-3-2-12(20)9-14(13)21)17(28-19)18-23-6-7-24-18/h3-8,10-12H,1,9H2,2H3,(H,25,27,30);2-9H,1H3,(H,23,24)(H,22,25,27).
What are the key properties of N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 900.70 g/mol, XLogP of 11.71, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide;N-[4-[4-(2,4-dichlorophenyl)-5-(1-prop-2-enylimidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159484882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).