[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine

C9H14N2S — CID 82601461

IUPAC[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
SMILESCc1nc(C2(CN)CCC2)cs1
InChIInChI=1S/C9H14N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4,6,10H2,1H3
InChIKeyOJGGTZFYLDABLJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.83
Rot. Bonds2

About [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine

[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine (PubChem CID 82601461) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
PubChem CID82601461
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
SMILESCc1nc(C2(CN)CCC2)cs1
InChIInChI=1S/C9H14N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4,6,10H2,1H3
InChIKeyOJGGTZFYLDABLJ-UHFFFAOYSA-N
XLogP1.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methyl-1,3-thiazol-4-yl)oxetan-3-yl]methanamine
CID 116891202
[1-(2-cyclohexyl-1,3-thiazol-4-yl)cyclobutyl]methanamine
CID 116890992
2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
CID 90291718
1-(2-methyl-1,3-thiazol-4-yl)cyclobutane-1-carbonitrile
CID 116890940
1-(2-methyl-1,3-thiazol-4-yl)cyclopropan-1-ol
CID 65198382
benzene;N-methyl-1-(2-methyl-1,3-thiazol-4-yl)cyclobutan-1-amine
CID 142924405
[1-(4-ethyl-1,3-thiazol-2-yl)cyclobutyl]methanamine
CID 105450241
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
[1-(7-methylquinolin-2-yl)cyclopentyl]methanamine
CID 82664148
[1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclobutyl]methanamine
CID 105464460
[1-(4-ethyl-1,3-thiazol-2-yl)cyclopentyl]methanamine
CID 83703000
[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine
CID 116890896

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine (CID 82601461) is [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine is Cc1nc(C2(CN)CCC2)cs1.
What is the InChIKey of [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The InChIKey is OJGGTZFYLDABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-11-8(5-12-7)9(6-10)3-2-4-9/h5H,2-4,6,10H2,1H3.
What are the key properties of [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
[1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82601461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).