1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine

C9H14ClN3S — CID 83155920

IUPAC1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine
SMILESCC1CN(c2nc(Cl)cs2)CCC1N
InChIInChI=1S/C9H14ClN3S/c1-6-4-13(3-2-7(6)11)9-12-8(10)5-14-9/h5-7H,2-4,11H2,1H3
InChIKeyMNOQIURCTTVVRG-UHFFFAOYSA-N
MW231.75 g/mol
LogP1.97
Rot. Bonds1

About 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine

1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine (PubChem CID 83155920) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine
PubChem CID83155920
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine
SMILESCC1CN(c2nc(Cl)cs2)CCC1N
InChIInChI=1S/C9H14ClN3S/c1-6-4-13(3-2-7(6)11)9-12-8(10)5-14-9/h5-7H,2-4,11H2,1H3
InChIKeyMNOQIURCTTVVRG-UHFFFAOYSA-N
XLogP1.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine 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 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine (CID 83155920) is 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine is CC1CN(c2nc(Cl)cs2)CCC1N.
What is the InChIKey of 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine?
The InChIKey is MNOQIURCTTVVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-6-4-13(3-2-7(6)11)9-12-8(10)5-14-9/h5-7H,2-4,11H2,1H3.
What are the key properties of 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine?
1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine has a molecular weight of 231.75 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 83155920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).