2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide

C20H13ClN4O2S — CID 56520770

IUPAC2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C20H13ClN4O2S/c21-16-7-2-1-6-15(16)20-24-11-17(28-20)19(27)25-13-9-22-18(23-10-13)12-4-3-5-14(26)8-12/h1-11,26H,(H,25,27)
InChIKeyVSWWAZGMKPNNFJ-UHFFFAOYSA-N
MW408.87 g/mol
LogP4.88
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 56520770) has the molecular formula C20H13ClN4O2S and a molecular weight of 408.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID56520770
Molecular FormulaC20H13ClN4O2S
Molecular Weight408.87 g/mol
Exact Mass408.04
IUPAC Name2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C20H13ClN4O2S/c21-16-7-2-1-6-15(16)20-24-11-17(28-20)19(27)25-13-9-22-18(23-10-13)12-4-3-5-14(26)8-12/h1-11,26H,(H,25,27)
InChIKeyVSWWAZGMKPNNFJ-UHFFFAOYSA-N
XLogP4.88
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.87
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(2-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 49371200
N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 95172667
2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 49322472
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
2-(2,4-dimethylphenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 56522430
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1-methylpyrrole-2-carboxamide
CID 75436300
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523220
(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523221
2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 49371122
2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide
CID 51129260
6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide
CID 56520260

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (CID 56520770) is 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cnc(-c2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is VSWWAZGMKPNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2S/c21-16-7-2-1-6-15(16)20-24-11-17(28-20)19(27)25-13-9-22-18(23-10-13)12-4-3-5-14(26)8-12/h1-11,26H,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 408.87 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56520770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).