3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline

C14H17N3S — CID 170777895

IUPAC3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline
SMILESNc1cccc(N2CCC(c3nccs3)CC2)c1
InChIInChI=1S/C14H17N3S/c15-12-2-1-3-13(10-12)17-7-4-11(5-8-17)14-16-6-9-18-14/h1-3,6,9-11H,4-5,7-8,15H2
InChIKeyOOPRZBHAFOHRPC-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.11
Rot. Bonds2

About 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline

3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline (PubChem CID 170777895) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline
PubChem CID170777895
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline
SMILESNc1cccc(N2CCC(c3nccs3)CC2)c1
InChIInChI=1S/C14H17N3S/c15-12-2-1-3-13(10-12)17-7-4-11(5-8-17)14-16-6-9-18-14/h1-3,6,9-11H,4-5,7-8,15H2
InChIKeyOOPRZBHAFOHRPC-UHFFFAOYSA-N
XLogP3.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline 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 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline?
The IUPAC name of 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline (CID 170777895) is 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline?
The canonical SMILES for 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline is Nc1cccc(N2CCC(c3nccs3)CC2)c1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline?
The InChIKey is OOPRZBHAFOHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-12-2-1-3-13(10-12)17-7-4-11(5-8-17)14-16-6-9-18-14/h1-3,6,9-11H,4-5,7-8,15H2.
What are the key properties of 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline?
3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline has a molecular weight of 259.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline is sourced from PubChem (CID 170777895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).