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

C6H4N2OS — CID 45121776

IUPACN-(1,3-thiazol-2-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1nccs1
InChIInChI=1S/C6H4N2OS/c1-2-5(9)8-6-7-3-4-10-6/h1,3-4H,(H,7,8,9)
InChIKeyBRBZYTOTEYMYFV-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.71
Rot. Bonds1

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

N-(1,3-thiazol-2-yl)prop-2-ynamide (PubChem CID 45121776) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)prop-2-ynamide
PubChem CID45121776
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC NameN-(1,3-thiazol-2-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1nccs1
InChIInChI=1S/C6H4N2OS/c1-2-5(9)8-6-7-3-4-10-6/h1,3-4H,(H,7,8,9)
InChIKeyBRBZYTOTEYMYFV-UHFFFAOYSA-N
XLogP0.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
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N,N'-bis(1,3-thiazol-2-yl)decanediamide
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2-[prop-2-ynyl(1,3-thiazol-2-ylcarbamoyl)amino]acetic acid
CID 79274575
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
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CID 47299476
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide
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CID 59361268

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)prop-2-ynamide?
The IUPAC name of N-(1,3-thiazol-2-yl)prop-2-ynamide (CID 45121776) is N-(1,3-thiazol-2-yl)prop-2-ynamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)prop-2-ynamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)prop-2-ynamide is C#CC(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)prop-2-ynamide?
The InChIKey is BRBZYTOTEYMYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c1-2-5(9)8-6-7-3-4-10-6/h1,3-4H,(H,7,8,9).
What are the key properties of N-(1,3-thiazol-2-yl)prop-2-ynamide?
N-(1,3-thiazol-2-yl)prop-2-ynamide has a molecular weight of 152.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)prop-2-ynamide is sourced from PubChem (CID 45121776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).