2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

C14H13N3OS — CID 79287112

IUPAC2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
SMILESC#CCNCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H13N3OS/c1-2-7-15-10-13(18)17-12-5-3-11(4-6-12)14-16-8-9-19-14/h1,3-6,8-9,15H,7,10H2,(H,17,18)
InChIKeyCFZHWVJBDSVJDW-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.97
Rot. Bonds5

About 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (PubChem CID 79287112) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
PubChem CID79287112
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
SMILESC#CCNCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C14H13N3OS/c1-2-7-15-10-13(18)17-12-5-3-11(4-6-12)14-16-8-9-19-14/h1,3-6,8-9,15H,7,10H2,(H,17,18)
InChIKeyCFZHWVJBDSVJDW-UHFFFAOYSA-N
XLogP1.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
2-(3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795737
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 71936941
2-(2,6-dichlorophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795621
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (CID 79287112) is 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is C#CCNCC(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
The InChIKey is CFZHWVJBDSVJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-7-15-10-13(18)17-12-5-3-11(4-6-12)14-16-8-9-19-14/h1,3-6,8-9,15H,7,10H2,(H,17,18).
What are the key properties of 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide?
2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide has a molecular weight of 271.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 79287112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).