2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide

C14H16N2OS2 — CID 107030803

IUPAC2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(S)cc1)c1nccs1
InChIInChI=1S/C14H16N2OS2/c1-2-12(14-15-7-8-19-14)16-13(17)9-10-3-5-11(18)6-4-10/h3-8,12,18H,2,9H2,1H3,(H,16,17)
InChIKeyHMGVSEIYOIMDIF-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide

2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 107030803) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
PubChem CID107030803
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(S)cc1)c1nccs1
InChIInChI=1S/C14H16N2OS2/c1-2-12(14-15-7-8-19-14)16-13(17)9-10-3-5-11(18)6-4-10/h3-8,12,18H,2,9H2,1H3,(H,16,17)
InChIKeyHMGVSEIYOIMDIF-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 91765781
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
CID 124606976
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 99628577
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide (CID 107030803) is 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide is CCC(NC(=O)Cc1ccc(S)cc1)c1nccs1.
What is the InChIKey of 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is HMGVSEIYOIMDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-2-12(14-15-7-8-19-14)16-13(17)9-10-3-5-11(18)6-4-10/h3-8,12,18H,2,9H2,1H3,(H,16,17).
What are the key properties of 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 292.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 107030803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).