N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide

C8H6N2O2S — CID 130778390

IUPACN-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1ncc(C(C)=O)s1
InChIInChI=1S/C8H6N2O2S/c1-3-7(12)10-8-9-4-6(13-8)5(2)11/h1,4H,2H3,(H,9,10,12)
InChIKeyVLCKWIOLYZSPIT-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.92
Rot. Bonds2

About N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide

N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide (PubChem CID 130778390) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide
PubChem CID130778390
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC NameN-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1ncc(C(C)=O)s1
InChIInChI=1S/C8H6N2O2S/c1-3-7(12)10-8-9-4-6(13-8)5(2)11/h1,4H,2H3,(H,9,10,12)
InChIKeyVLCKWIOLYZSPIT-UHFFFAOYSA-N
XLogP0.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-3-methylbutanamide
CID 119329732
N-(5-acetyl-1,3-thiazol-2-yl)-methylboronamidic acid
CID 58334936
1-[2-(propylamino)-1,3-thiazol-5-yl]ethanone
CID 58688654
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
CID 119329727
2-[(5-acetyl-1,3-thiazol-2-yl)amino]acetic acid;ethane
CID 143328357
N-(5-acetyl-1,3-thiazol-2-yl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119329729
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119329715
N-(5-acetyl-1,3-thiazol-2-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120933971
N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 122151280
1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide
CID 13130947
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide?
The IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide (CID 130778390) is N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide.
What is the SMILES notation for N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide?
The canonical SMILES for N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide is C#CC(=O)Nc1ncc(C(C)=O)s1.
What is the InChIKey of N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide?
The InChIKey is VLCKWIOLYZSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-3-7(12)10-8-9-4-6(13-8)5(2)11/h1,4H,2H3,(H,9,10,12).
What are the key properties of N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide?
N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide has a molecular weight of 194.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide is sourced from PubChem (CID 130778390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).