ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

C20H19N3O3S — CID 121065509

IUPACethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cccc(C)c2)s1
InChIInChI=1S/C20H19N3O3S/c1-3-26-20(25)23-19-21-16(14-9-5-4-6-10-14)18(27-19)22-17(24)15-11-7-8-13(2)12-15/h4-12H,3H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyCZKKELUNLLXVJM-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.94
Rot. Bonds5

About ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 121065509) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID121065509
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Nameethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cccc(C)c2)s1
InChIInChI=1S/C20H19N3O3S/c1-3-26-20(25)23-19-21-16(14-9-5-4-6-10-14)18(27-19)22-17(24)15-11-7-8-13(2)12-15/h4-12H,3H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyCZKKELUNLLXVJM-UHFFFAOYSA-N
XLogP4.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-(naphthalene-2-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065559
ethyl N-[5-[(4-methyl-3-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065550
ethyl N-[5-[(4-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065548
ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065632
ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065544
ethyl N-[5-[(2-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065546
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
ethyl N-[4-(4-methylphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]carbamate
CID 154811058
ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842423
ethyl 2-(1,3-benzothiazole-6-carbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 5048536

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 121065509) is ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cccc(C)c2)s1.
What is the InChIKey of ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is CZKKELUNLLXVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-3-26-20(25)23-19-21-16(14-9-5-4-6-10-14)18(27-19)22-17(24)15-11-7-8-13(2)12-15/h4-12H,3H2,1-2H3,(H,22,24)(H,21,23,25).
What are the key properties of ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 381.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 121065509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).