(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine

C12H20N2S — CID 65400000

IUPAC(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(C2CCCCCC2)sc1CN
InChIInChI=1S/C12H20N2S/c1-9-11(8-13)15-12(14-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3
InChIKeyPQSYIUXOAXBJKY-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.35
Rot. Bonds2

About (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine

(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 65400000) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID65400000
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(C2CCCCCC2)sc1CN
InChIInChI=1S/C12H20N2S/c1-9-11(8-13)15-12(14-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3
InChIKeyPQSYIUXOAXBJKY-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 65414439
[4-methyl-2-(thiolan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115028914
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
CID 116886443
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 115337336
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931
[2-(2,2-dimethylcyclopropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 107925814
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
CID 116887445
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572
[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine
CID 116885292

Frequently Asked Questions

What is the IUPAC name of (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine (CID 65400000) is (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine is Cc1nc(C2CCCCCC2)sc1CN.
What is the InChIKey of (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is PQSYIUXOAXBJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-11(8-13)15-12(14-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3.
What are the key properties of (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine?
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 65400000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).