N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide

C16H19N3O2S — CID 17443412

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-2-11-3-5-12(6-4-11)7-8-15(21)19-16-18-13(10-22-16)9-14(17)20/h3-6,10H,2,7-9H2,1H3,(H2,17,20)(H,18,19,21)
InChIKeyYQHYXBRFSWJZQQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.30
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide (PubChem CID 17443412) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
PubChem CID17443412
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-2-11-3-5-12(6-4-11)7-8-15(21)19-16-18-13(10-22-16)9-14(17)20/h3-6,10H,2,7-9H2,1H3,(H2,17,20)(H,18,19,21)
InChIKeyYQHYXBRFSWJZQQ-UHFFFAOYSA-N
XLogP2.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[3-(4-chlorophenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
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ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
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N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
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CID 17465652
3-(4-methoxyphenyl)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]propanamide
CID 16850053
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide (CID 17443412) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide is CCc1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide?
The InChIKey is YQHYXBRFSWJZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-11-3-5-12(6-4-11)7-8-15(21)19-16-18-13(10-22-16)9-14(17)20/h3-6,10H,2,7-9H2,1H3,(H2,17,20)(H,18,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide is sourced from PubChem (CID 17443412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).