N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C10H14N2O2S — CID 126856470

IUPACN-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCC2O)s1
InChIInChI=1S/C10H14N2O2S/c1-5-9(15-6(2)11-5)10(14)12-7-3-4-8(7)13/h7-8,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyHRGIGVIPTBQQGE-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.01
Rot. Bonds2

About N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 126856470) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID126856470
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCC2O)s1
InChIInChI=1S/C10H14N2O2S/c1-5-9(15-6(2)11-5)10(14)12-7-3-4-8(7)13/h7-8,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyHRGIGVIPTBQQGE-UHFFFAOYSA-N
XLogP1.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43389612
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58475112
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 94364000
2,4-dimethyl-N-[(1S,6S,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]-1,3-thiazole-5-carboxamide
CID 92597793
2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91797508
2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 95984995
N-[2-(cyclopropylamino)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103806373
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771
N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 106127337

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 126856470) is N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCC2O)s1.
What is the InChIKey of N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is HRGIGVIPTBQQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-5-9(15-6(2)11-5)10(14)12-7-3-4-8(7)13/h7-8,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126856470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).