N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide

C9H12N2O2S — CID 103881171

IUPACN-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1(CO)CCC1)c1cncs1
InChIInChI=1S/C9H12N2O2S/c12-5-9(2-1-3-9)11-8(13)7-4-10-6-14-7/h4,6,12H,1-3,5H2,(H,11,13)
InChIKeyHHTFPZWAEOXERI-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.79
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide (PubChem CID 103881171) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
PubChem CID103881171
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1(CO)CCC1)c1cncs1
InChIInChI=1S/C9H12N2O2S/c12-5-9(2-1-3-9)11-8(13)7-4-10-6-14-7/h4,6,12H,1-3,5H2,(H,11,13)
InChIKeyHHTFPZWAEOXERI-UHFFFAOYSA-N
XLogP0.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide (CID 103881171) is N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide is O=C(NC1(CO)CCC1)c1cncs1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HHTFPZWAEOXERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-5-9(2-1-3-9)11-8(13)7-4-10-6-14-7/h4,6,12H,1-3,5H2,(H,11,13).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103881171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).