N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide

C13H15N3O2S2 — CID 18139536

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nc(CC(N)=O)cs2)cc1C
InChIInChI=1S/C13H15N3O2S2/c1-3-9-7(2)4-10(20-9)12(18)16-13-15-8(6-19-13)5-11(14)17/h4,6H,3,5H2,1-2H3,(H2,14,17)(H,15,16,18)
InChIKeyCEZLPXKZIIHNJA-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.36
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 18139536) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID18139536
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nc(CC(N)=O)cs2)cc1C
InChIInChI=1S/C13H15N3O2S2/c1-3-9-7(2)4-10(20-9)12(18)16-13-15-8(6-19-13)5-11(14)17/h4,6H,3,5H2,1-2H3,(H2,14,17)(H,15,16,18)
InChIKeyCEZLPXKZIIHNJA-UHFFFAOYSA-N
XLogP2.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55460998
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55372926
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
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N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 47138313
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
4-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655690
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 17443412
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 18139536) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2nc(CC(N)=O)cs2)cc1C.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is CEZLPXKZIIHNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-3-9-7(2)4-10(20-9)12(18)16-13-15-8(6-19-13)5-11(14)17/h4,6H,3,5H2,1-2H3,(H2,14,17)(H,15,16,18).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 309.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 18139536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).