5-propan-2-yl-1,3-thiazole-2-carboxamide

C7H10N2OS — CID 66641656

IUPAC5-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1cnc(C(N)=O)s1
InChIInChI=1S/C7H10N2OS/c1-4(2)5-3-9-7(11-5)6(8)10/h3-4H,1-2H3,(H2,8,10)
InChIKeyWCIJECZSOLNUGR-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.37
Rot. Bonds2

About 5-propan-2-yl-1,3-thiazole-2-carboxamide

5-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 66641656) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID66641656
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name5-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1cnc(C(N)=O)s1
InChIInChI=1S/C7H10N2OS/c1-4(2)5-3-9-7(11-5)6(8)10/h3-4H,1-2H3,(H2,8,10)
InChIKeyWCIJECZSOLNUGR-UHFFFAOYSA-N
XLogP1.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Propan-2-yl)-1,3-thiazole-2-carbaldehyde
CID 75480714
Lithium(1+) ion 5-(propan-2-yl)-1,3-thiazole-2-carboxylate
CID 73554514
1-[5-(2-Fluoropropan-2-yl)-1,3-thiazol-2-yl]ethanone
CID 84770358
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113245122
5-(Difluoromethyl)-1,3-thiazole-2-carboxamide
CID 168885480
2-(5-Methyl-1,3-thiazol-3-ium-3-yl)acetamide
CID 18763784
5-Tert-butyl-1,3-thiazole-2-carboxamide
CID 19786350
N,5-dimethyl-1,3-thiazole-2-carboxamide
CID 20706055
5-Methylthiazole-2-carboxamide
CID 22367510
5-Cyclobutyl-1,3-thiazole-2-carboxamide
CID 22731381
2-(2-Methyl-1,3-thiazol-5-yl)acetamide
CID 33698361
5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide
CID 57737434

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-propan-2-yl-1,3-thiazole-2-carboxamide (CID 66641656) is 5-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)c1cnc(C(N)=O)s1.
What is the InChIKey of 5-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is WCIJECZSOLNUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4(2)5-3-9-7(11-5)6(8)10/h3-4H,1-2H3,(H2,8,10).
What are the key properties of 5-propan-2-yl-1,3-thiazole-2-carboxamide?
5-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 170.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66641656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).