N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide

C10H14N2O2S — CID 126819050

IUPACN-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(O)C2)ns1
InChIInChI=1S/C10H14N2O2S/c1-6-3-8(12-15-6)9(13)11-7-4-10(2,14)5-7/h3,7,14H,4-5H2,1-2H3,(H,11,13)
InChIKeyAZQOMVZUKMTMSS-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.09
Rot. Bonds2

About N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide

N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 126819050) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID126819050
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(O)C2)ns1
InChIInChI=1S/C10H14N2O2S/c1-6-3-8(12-15-6)9(13)11-7-4-10(2,14)5-7/h3,7,14H,4-5H2,1-2H3,(H,11,13)
InChIKeyAZQOMVZUKMTMSS-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide (CID 126819050) is N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC2CC(C)(O)C2)ns1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is AZQOMVZUKMTMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-3-8(12-15-6)9(13)11-7-4-10(2,14)5-7/h3,7,14H,4-5H2,1-2H3,(H,11,13).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide?
N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126819050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).