(2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine

C11H18N2S — CID 164647449

IUPAC(2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine
SMILESCC1(C)CCCC1C(N)c1cnsc1
InChIInChI=1S/C11H18N2S/c1-11(2)5-3-4-9(11)10(12)8-6-13-14-7-8/h6-7,9-10H,3-5,12H2,1-2H3
InChIKeyYOIHZDWSFUXLQY-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.97
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine

(2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine (PubChem CID 164647449) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine
PubChem CID164647449
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine
SMILESCC1(C)CCCC1C(N)c1cnsc1
InChIInChI=1S/C11H18N2S/c1-11(2)5-3-4-9(11)10(12)8-6-13-14-7-8/h6-7,9-10H,3-5,12H2,1-2H3
InChIKeyYOIHZDWSFUXLQY-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-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

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine (CID 164647449) is (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine is CC1(C)CCCC1C(N)c1cnsc1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine?
The InChIKey is YOIHZDWSFUXLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-11(2)5-3-4-9(11)10(12)8-6-13-14-7-8/h6-7,9-10H,3-5,12H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine?
(2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(1,2-thiazol-4-yl)methanamine is sourced from PubChem (CID 164647449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).