N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide

C18H14ClN3O2S — CID 95172667

IUPACN-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1C(N)=O
InChIInChI=1S/C18H14ClN3O2S/c1-10-6-7-11(8-13(10)16(20)23)22-17(24)15-9-21-18(25-15)12-4-2-3-5-14(12)19/h2-9H,1H3,(H2,20,23)(H,22,24)
InChIKeyMGROAMGVOYQXGS-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.12
Rot. Bonds4

About N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide

N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 95172667) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID95172667
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1C(N)=O
InChIInChI=1S/C18H14ClN3O2S/c1-10-6-7-11(8-13(10)16(20)23)22-17(24)15-9-21-18(25-15)12-4-2-3-5-14(12)19/h2-9H,1H3,(H2,20,23)(H,22,24)
InChIKeyMGROAMGVOYQXGS-UHFFFAOYSA-N
XLogP4.12
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyl-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166186406
N'-(2-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 49371200
2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 56520770
2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 49322472
N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 99625926
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 49371122
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 122134190
2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide
CID 51129260
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
2-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 90937276
2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 49372790

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide (CID 95172667) is N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MGROAMGVOYQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-10-6-7-11(8-13(10)16(20)23)22-17(24)15-9-21-18(25-15)12-4-2-3-5-14(12)19/h2-9H,1H3,(H2,20,23)(H,22,24).
What are the key properties of N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide?
N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95172667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).