N-propan-2-yl-1,3-thiazole-4-carboxamide

C7H10N2OS — CID 58337725

IUPACN-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1cscn1
InChIInChI=1S/C7H10N2OS/c1-5(2)9-7(10)6-3-11-4-8-6/h3-5H,1-2H3,(H,9,10)
InChIKeyRGKWQHHIWOGIPT-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.28
Rot. Bonds2

About N-propan-2-yl-1,3-thiazole-4-carboxamide

N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 58337725) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID58337725
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1cscn1
InChIInChI=1S/C7H10N2OS/c1-5(2)9-7(10)6-3-11-4-8-6/h3-5H,1-2H3,(H,9,10)
InChIKeyRGKWQHHIWOGIPT-UHFFFAOYSA-N
XLogP1.28
TPSA41.99 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-(1-cyclobutylethyl)-1,3-thiazole-4-carboxamide
CID 115769139
N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 65193010
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049931
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144390
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 58337725) is N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1cscn1.
What is the InChIKey of N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RGKWQHHIWOGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(2)9-7(10)6-3-11-4-8-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 170.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58337725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).