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

C8H8N2OS — CID 130635299

IUPACN-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C8H8N2OS/c1-3-4-7(11)10-8-9-6(2)5-12-8/h5H,1-2H3,(H,9,10,11)
InChIKeyKJPMSHJXWKWWBN-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.41
Rot. Bonds1

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

N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide (PubChem CID 130635299) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide
PubChem CID130635299
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C8H8N2OS/c1-3-4-7(11)10-8-9-6(2)5-12-8/h5H,1-2H3,(H,9,10,11)
InChIKeyKJPMSHJXWKWWBN-UHFFFAOYSA-N
XLogP1.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.41
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

3-bromo-N-(4-methyl-1,3-thiazol-2-yl)prop-2-ynamide
CID 130643691
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
(E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide
CID 166652851

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide (CID 130635299) is N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide is CC#CC(=O)Nc1nc(C)cs1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide?
The InChIKey is KJPMSHJXWKWWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-3-4-7(11)10-8-9-6(2)5-12-8/h5H,1-2H3,(H,9,10,11).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide?
N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide has a molecular weight of 180.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)but-2-ynamide is sourced from PubChem (CID 130635299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).