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

C12H13N3O2S — CID 58911903

IUPACethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(N)s1
InChIInChI=1S/C12H13N3O2S/c1-2-17-12(16)15-11-14-9(10(13)18-11)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyQGVJKTRMRITUIH-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.96
Rot. Bonds3

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

ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate (PubChem CID 58911903) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
PubChem CID58911903
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(N)s1
InChIInChI=1S/C12H13N3O2S/c1-2-17-12(16)15-11-14-9(10(13)18-11)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKeyQGVJKTRMRITUIH-UHFFFAOYSA-N
XLogP2.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 82342240
ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065509
ethyl N-[5-(naphthalene-2-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065559
ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065632
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
ethyl N-[5-[(2-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065546
ethyl N-[5-[(4-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065548
ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065544
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 82342247
ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842423
ethyl N-[5-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842422

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate (CID 58911903) is ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate is CCOC(=O)Nc1nc(-c2ccccc2)c(N)s1.
What is the InChIKey of ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is QGVJKTRMRITUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-12(16)15-11-14-9(10(13)18-11)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3,(H,14,15,16).
What are the key properties of ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate?
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 263.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 58911903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).