3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide

C13H12N2O2S — CID 69462546

IUPAC3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide
SMILESNC(=O)CCc1cccc(C(=O)c2nccs2)c1
InChIInChI=1S/C13H12N2O2S/c14-11(16)5-4-9-2-1-3-10(8-9)12(17)13-15-6-7-18-13/h1-3,6-8H,4-5H2,(H2,14,16)
InChIKeySGYGWPMXPCCWKL-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.79
Rot. Bonds5

About 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide

3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide (PubChem CID 69462546) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide
PubChem CID69462546
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide
SMILESNC(=O)CCc1cccc(C(=O)c2nccs2)c1
InChIInChI=1S/C13H12N2O2S/c14-11(16)5-4-9-2-1-3-10(8-9)12(17)13-15-6-7-18-13/h1-3,6-8H,4-5H2,(H2,14,16)
InChIKeySGYGWPMXPCCWKL-UHFFFAOYSA-N
XLogP1.79
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazol-2-yl)propanamide
CID 45121787
3-(3-bromophenyl)propanamide
CID 20823841
3-(12-amino-12-oxododecyl)benzamide
CID 19832819
carbanide;3-phenylpropanamide;yttrium
CID 160557542
phenyl(1,3-thiazol-2-yl)methanone;(NE)-N-[phenyl(1,3-thiazol-2-yl)methylidene]hydroxylamine
CID 172917333
3-(3-bromophenyl)propanamide;ethane
CID 91218964
4-(3-methylphenyl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 105118053
carbonic acid;3-phenylpropanamide
CID 174965682
3-quinolin-7-ylpropanamide
CID 82578510
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
bis[3-(2-bromoethyl)phenyl]methanone
CID 175893594
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide?
The IUPAC name of 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide (CID 69462546) is 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide is NC(=O)CCc1cccc(C(=O)c2nccs2)c1.
What is the InChIKey of 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide?
The InChIKey is SGYGWPMXPCCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c14-11(16)5-4-9-2-1-3-10(8-9)12(17)13-15-6-7-18-13/h1-3,6-8H,4-5H2,(H2,14,16).
What are the key properties of 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide?
3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide has a molecular weight of 260.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide is sourced from PubChem (CID 69462546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).