(5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone

C14H17ClN2OS3 — CID 71801048

IUPAC(5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C14H17ClN2OS3/c15-12-2-1-11(21-12)13(18)17-6-3-10(4-7-17)9-20-14-16-5-8-19-14/h1-2,10H,3-9H2
InChIKeyBBQXGVKZOGLBLQ-UHFFFAOYSA-N
MW360.96 g/mol
LogP4.09
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 71801048) has the molecular formula C14H17ClN2OS3 and a molecular weight of 360.96 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID71801048
Molecular FormulaC14H17ClN2OS3
Molecular Weight360.96 g/mol
Exact Mass360.02
IUPAC Name(5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C14H17ClN2OS3/c15-12-2-1-11(21-12)13(18)17-6-3-10(4-7-17)9-20-14-16-5-8-19-14/h1-2,10H,3-9H2
InChIKeyBBQXGVKZOGLBLQ-UHFFFAOYSA-N
XLogP4.09
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.96
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone 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-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone (CID 71801048) is (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCC(CSC2=NCCS2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is BBQXGVKZOGLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS3/c15-12-2-1-11(21-12)13(18)17-6-3-10(4-7-17)9-20-14-16-5-8-19-14/h1-2,10H,3-9H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 360.96 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71801048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).