2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide

C19H17ClN4O2S — CID 16897465

IUPAC2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C
InChIInChI=1S/C19H17ClN4O2S/c1-11-6-3-4-9-15(11)23-17(25)16-12(2)21-19(27-16)24-18(26)22-14-8-5-7-13(20)10-14/h3-10H,1-2H3,(H,23,25)(H2,21,22,24,26)
InChIKeyFGVXVZVHXJVUMF-UHFFFAOYSA-N
MW400.89 g/mol
LogP5.31
Rot. Bonds4

About 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide

2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 16897465) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID16897465
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C
InChIInChI=1S/C19H17ClN4O2S/c1-11-6-3-4-9-15(11)23-17(25)16-12(2)21-19(27-16)24-18(26)22-14-8-5-7-13(20)10-14/h3-10H,1-2H3,(H,23,25)(H2,21,22,24,26)
InChIKeyFGVXVZVHXJVUMF-UHFFFAOYSA-N
XLogP5.31
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.89
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183
N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897513
2-[(4-fluorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897753
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 16897453
4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 16897211
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 16897637
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897941
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620
1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16897630

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 16897465) is 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1NC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FGVXVZVHXJVUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-11-6-3-4-9-15(11)23-17(25)16-12(2)21-19(27-16)24-18(26)22-14-8-5-7-13(20)10-14/h3-10H,1-2H3,(H,23,25)(H2,21,22,24,26).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 5.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).