5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole

C13H17N3S2 — CID 73439934

IUPAC5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
SMILESCc1cnc(C2CCCN(Cc3cscn3)C2)s1
InChIInChI=1S/C13H17N3S2/c1-10-5-14-13(18-10)11-3-2-4-16(6-11)7-12-8-17-9-15-12/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyBLEXGPZZGZTTHT-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.29
Rot. Bonds3

About 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole

5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole (PubChem CID 73439934) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
PubChem CID73439934
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
SMILESCc1cnc(C2CCCN(Cc3cscn3)C2)s1
InChIInChI=1S/C13H17N3S2/c1-10-5-14-13(18-10)11-3-2-4-16(6-11)7-12-8-17-9-15-12/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyBLEXGPZZGZTTHT-UHFFFAOYSA-N
XLogP3.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole 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 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole (CID 73439934) is 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole is Cc1cnc(C2CCCN(Cc3cscn3)C2)s1.
What is the InChIKey of 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The InChIKey is BLEXGPZZGZTTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-10-5-14-13(18-10)11-3-2-4-16(6-11)7-12-8-17-9-15-12/h5,8-9,11H,2-4,6-7H2,1H3.
What are the key properties of 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole has a molecular weight of 279.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 73439934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).