1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine

C19H25N3S2 — CID 45189824

IUPAC1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine
SMILESCc1nc(-c2cccc(N3CCC(NC4CCSC4)CC3)c2)cs1
InChIInChI=1S/C19H25N3S2/c1-14-20-19(13-24-14)15-3-2-4-18(11-15)22-8-5-16(6-9-22)21-17-7-10-23-12-17/h2-4,11,13,16-17,21H,5-10,12H2,1H3
InChIKeyZRGQCFYWQMQPNW-UHFFFAOYSA-N
MW359.56 g/mol
LogP4.18
Rot. Bonds4

About 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine

1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine (PubChem CID 45189824) has the molecular formula C19H25N3S2 and a molecular weight of 359.56 g/mol. Its IUPAC name is 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine
PubChem CID45189824
Molecular FormulaC19H25N3S2
Molecular Weight359.56 g/mol
Exact Mass359.15
IUPAC Name1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine
SMILESCc1nc(-c2cccc(N3CCC(NC4CCSC4)CC3)c2)cs1
InChIInChI=1S/C19H25N3S2/c1-14-20-19(13-24-14)15-3-2-4-18(11-15)22-8-5-16(6-9-22)21-17-7-10-23-12-17/h2-4,11,13,16-17,21H,5-10,12H2,1H3
InChIKeyZRGQCFYWQMQPNW-UHFFFAOYSA-N
XLogP4.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-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-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine (CID 45189824) is 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine is Cc1nc(-c2cccc(N3CCC(NC4CCSC4)CC3)c2)cs1.
What is the InChIKey of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine?
The InChIKey is ZRGQCFYWQMQPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S2/c1-14-20-19(13-24-14)15-3-2-4-18(11-15)22-8-5-16(6-9-22)21-17-7-10-23-12-17/h2-4,11,13,16-17,21H,5-10,12H2,1H3.
What are the key properties of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine?
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine has a molecular weight of 359.56 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 45189824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).