methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate

C14H15N3O3S — CID 48578248

IUPACmethyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
SMILESCCc1ncc(C(=O)Nc2ccc(NC(=O)OC)cc2)s1
InChIInChI=1S/C14H15N3O3S/c1-3-12-15-8-11(21-12)13(18)16-9-4-6-10(7-5-9)17-14(19)20-2/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNXPGLICWGGKLCB-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.14
Rot. Bonds4

About methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate

methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate (PubChem CID 48578248) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
PubChem CID48578248
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
SMILESCCc1ncc(C(=O)Nc2ccc(NC(=O)OC)cc2)s1
InChIInChI=1S/C14H15N3O3S/c1-3-12-15-8-11(21-12)13(18)16-9-4-6-10(7-5-9)17-14(19)20-2/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNXPGLICWGGKLCB-UHFFFAOYSA-N
XLogP3.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 89433950
N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 48577750
N-(3-acetylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47425777
methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 86847514
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48578355
2-ethyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47426149
2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 86857677
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 166215738
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
methyl N-[4-[[[ethylamino-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]methyl]phenyl]carbamate
CID 111532347

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate (CID 48578248) is methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate is CCc1ncc(C(=O)Nc2ccc(NC(=O)OC)cc2)s1.
What is the InChIKey of methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate?
The InChIKey is NXPGLICWGGKLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-12-15-8-11(21-12)13(18)16-9-4-6-10(7-5-9)17-14(19)20-2/h4-8H,3H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate?
methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate has a molecular weight of 305.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 48578248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).