2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate

C18H13N2O3S- — CID 3649410

IUPAC2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCc1sc(NC(=O)c2ccccc2C(=O)[O-])nc1-c1ccccc1
InChIInChI=1S/C18H14N2O3S/c1-11-15(12-7-3-2-4-8-12)19-18(24-11)20-16(21)13-9-5-6-10-14(13)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)/p-1
InChIKeyNGRQRRKOFUJWHP-UHFFFAOYSA-M
MW337.38 g/mol
LogP2.73
Rot. Bonds4

About 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate

2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate (PubChem CID 3649410) has the molecular formula C18H13N2O3S- and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
PubChem CID3649410
Molecular FormulaC18H13N2O3S-
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCc1sc(NC(=O)c2ccccc2C(=O)[O-])nc1-c1ccccc1
InChIInChI=1S/C18H14N2O3S/c1-11-15(12-7-3-2-4-8-12)19-18(24-11)20-16(21)13-9-5-6-10-14(13)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)/p-1
InChIKeyNGRQRRKOFUJWHP-UHFFFAOYSA-M
XLogP2.73
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 43980747
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 3533198
2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864610

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The IUPAC name of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate (CID 3649410) is 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The canonical SMILES for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate is Cc1sc(NC(=O)c2ccccc2C(=O)[O-])nc1-c1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The InChIKey is NGRQRRKOFUJWHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14N2O3S/c1-11-15(12-7-3-2-4-8-12)19-18(24-11)20-16(21)13-9-5-6-10-14(13)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)/p-1.
What are the key properties of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate has a molecular weight of 337.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 3649410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).