methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate

C13H12N2O3S — CID 10016291

IUPACmethyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(C(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C13H12N2O3S/c1-8-3-5-9(6-4-8)11(16)10-7-19-12(14-10)15-13(17)18-2/h3-7H,1-2H3,(H,14,15,17)
InChIKeyUPRRGZVOYJBLKY-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.86
Rot. Bonds3

About methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate

methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 10016291) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate
PubChem CID10016291
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Namemethyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(C(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C13H12N2O3S/c1-8-3-5-9(6-4-8)11(16)10-7-19-12(14-10)15-13(17)18-2/h3-7H,1-2H3,(H,14,15,17)
InChIKeyUPRRGZVOYJBLKY-UHFFFAOYSA-N
XLogP2.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247
(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone
CID 10353333
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84550493
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
(4-ethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 82128688
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82131144
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate (CID 10016291) is methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(C(=O)c2ccc(C)cc2)cs1.
What is the InChIKey of methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is UPRRGZVOYJBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-3-5-9(6-4-8)11(16)10-7-19-12(14-10)15-13(17)18-2/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate?
methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 276.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(4-methylbenzoyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 10016291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).