N-(1,3-thiazol-4-yl)prop-2-ynamide

C6H4N2OS — CID 45121900

IUPACN-(1,3-thiazol-4-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1cscn1
InChIInChI=1S/C6H4N2OS/c1-2-6(9)8-5-3-10-4-7-5/h1,3-4H,(H,8,9)
InChIKeyAUMYHPWJNHDKAC-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.71
Rot. Bonds1

About N-(1,3-thiazol-4-yl)prop-2-ynamide

N-(1,3-thiazol-4-yl)prop-2-ynamide (PubChem CID 45121900) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is N-(1,3-thiazol-4-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-yl)prop-2-ynamide
PubChem CID45121900
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC NameN-(1,3-thiazol-4-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1cscn1
InChIInChI=1S/C6H4N2OS/c1-2-6(9)8-5-3-10-4-7-5/h1,3-4H,(H,8,9)
InChIKeyAUMYHPWJNHDKAC-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

2,2-dimethyl-N-(1,3-thiazol-4-yl)propanamide
CID 146397984
S-propyl N-(1,3-thiazol-4-yl)carbamothioate
CID 130008086
N-(1,3-thiazol-2-yl)prop-2-ynamide
CID 45121776
ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate
CID 91362137
2-(1,3-thiazol-4-ylamino)ethanol
CID 54482134
N-(1,3-thiazol-4-yl)methanesulfonamide
CID 135331205
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
CID 104739879
N-(5-acetyl-1,3-thiazol-2-yl)prop-2-ynamide
CID 130778390
N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide
CID 130595304
4-ethynyl-1,3-thiazole;methane
CID 158779504
1-(2,3-dimethylindazol-6-yl)-3-(1,3-thiazol-4-yl)urea
CID 74763951
N-(4-methylphenyl)prop-2-ynamide
CID 14491742

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-yl)prop-2-ynamide?
The IUPAC name of N-(1,3-thiazol-4-yl)prop-2-ynamide (CID 45121900) is N-(1,3-thiazol-4-yl)prop-2-ynamide.
What is the SMILES notation for N-(1,3-thiazol-4-yl)prop-2-ynamide?
The canonical SMILES for N-(1,3-thiazol-4-yl)prop-2-ynamide is C#CC(=O)Nc1cscn1.
What is the InChIKey of N-(1,3-thiazol-4-yl)prop-2-ynamide?
The InChIKey is AUMYHPWJNHDKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c1-2-6(9)8-5-3-10-4-7-5/h1,3-4H,(H,8,9).
What are the key properties of N-(1,3-thiazol-4-yl)prop-2-ynamide?
N-(1,3-thiazol-4-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-4-yl)prop-2-ynamide is sourced from PubChem (CID 45121900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).