[1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine

C12H18N2S — CID 116886917

IUPAC[1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine
SMILESCc1nc(C2CCC2)sc1C1(CN)CC1
InChIInChI=1S/C12H18N2S/c1-8-10(12(7-13)5-6-12)15-11(14-8)9-3-2-4-9/h9H,2-7,13H2,1H3
InChIKeyAXWADLDOZAJIIE-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.71
Rot. Bonds3

About [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine

[1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine (PubChem CID 116886917) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine
PubChem CID116886917
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name[1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine
SMILESCc1nc(C2CCC2)sc1C1(CN)CC1
InChIInChI=1S/C12H18N2S/c1-8-10(12(7-13)5-6-12)15-11(14-8)9-3-2-4-9/h9H,2-7,13H2,1H3
InChIKeyAXWADLDOZAJIIE-UHFFFAOYSA-N
XLogP2.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanol
CID 116886884
1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
CID 116887451
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
CID 116887445
[3-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)oxetan-3-yl]methanol
CID 116887101
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
5-[1-(aminomethyl)cyclopropyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 131304128
[1-(4-methyl-2-propyl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886887
[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine
CID 116885292
[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 65414439
2-amino-1-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 116886750
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931
2-cyclobutyl-5-methyl-1,3-thiazol-4-amine
CID 83108026

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine (CID 116886917) is [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine is Cc1nc(C2CCC2)sc1C1(CN)CC1.
What is the InChIKey of [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine?
The InChIKey is AXWADLDOZAJIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-8-10(12(7-13)5-6-12)15-11(14-8)9-3-2-4-9/h9H,2-7,13H2,1H3.
What are the key properties of [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine?
[1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116886917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).