4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide

C8H9ClN2OS — CID 130735690

IUPAC4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCC1)c1scnc1Cl
InChIInChI=1S/C8H9ClN2OS/c9-7-6(13-4-10-7)8(12)11-5-2-1-3-5/h4-5H,1-3H2,(H,11,12)
InChIKeyNUFHERCIXUIAHI-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide

4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide (PubChem CID 130735690) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide
PubChem CID130735690
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCC1)c1scnc1Cl
InChIInChI=1S/C8H9ClN2OS/c9-7-6(13-4-10-7)8(12)11-5-2-1-3-5/h4-5H,1-3H2,(H,11,12)
InChIKeyNUFHERCIXUIAHI-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
4-cyclopentyl-N-(1,1-dioxothian-4-yl)-1,3-thiazole-5-carboxamide
CID 75522417
N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84550019
1-(4-chloro-1,3-thiazol-5-yl)ethanone
CID 117274660
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47255361
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide (CID 130735690) is 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide is O=C(NC1CCC1)c1scnc1Cl.
What is the InChIKey of 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide?
The InChIKey is NUFHERCIXUIAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c9-7-6(13-4-10-7)8(12)11-5-2-1-3-5/h4-5H,1-3H2,(H,11,12).
What are the key properties of 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide?
4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide has a molecular weight of 216.69 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130735690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).