N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide

C10H14N2O2S — CID 103881158

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2(CO)CCC2)s1
InChIInChI=1S/C10H14N2O2S/c1-7-11-5-8(15-7)9(14)12-10(6-13)3-2-4-10/h5,13H,2-4,6H2,1H3,(H,12,14)
InChIKeyATESBOBFZVTLTD-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.10
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 103881158) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID103881158
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2(CO)CCC2)s1
InChIInChI=1S/C10H14N2O2S/c1-7-11-5-8(15-7)9(14)12-10(6-13)3-2-4-10/h5,13H,2-4,6H2,1H3,(H,12,14)
InChIKeyATESBOBFZVTLTD-UHFFFAOYSA-N
XLogP1.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(bromomethyl)oxan-4-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 106300856
N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 103881171
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 115878236
N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
CID 55082075
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335560
[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
CID 62522547
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065
N-[1-(hydroxymethyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115877894
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
CID 103881180

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 103881158) is N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NC2(CO)CCC2)s1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ATESBOBFZVTLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-11-5-8(15-7)9(14)12-10(6-13)3-2-4-10/h5,13H,2-4,6H2,1H3,(H,12,14).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.10, 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]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103881158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).