N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide

C15H17N3O2S — CID 48577750

IUPACN-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)s1
InChIInChI=1S/C15H17N3O2S/c1-4-14-16-8-13(21-14)15(20)18-11-6-5-9(2)12(7-11)17-10(3)19/h5-8H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWOPIWHHKPCBUPG-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.22
Rot. Bonds4

About N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide

N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48577750) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID48577750
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)s1
InChIInChI=1S/C15H17N3O2S/c1-4-14-16-8-13(21-14)15(20)18-11-6-5-9(2)12(7-11)17-10(3)19/h5-8H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWOPIWHHKPCBUPG-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 89433950
N-(3-acetylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47425777
methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
CID 48578248
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48578355
N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852084
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 86847514
2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75436787
2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 86857677

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide (CID 48577750) is N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)s1.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WOPIWHHKPCBUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-4-14-16-8-13(21-14)15(20)18-11-6-5-9(2)12(7-11)17-10(3)19/h5-8H,4H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide?
N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48577750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).