[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone

C15H18N2OS3 — CID 71800795

IUPAC[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1csc(SCC2CCN(C(=O)c3ccsc3)CC2)n1
InChIInChI=1S/C15H18N2OS3/c1-11-8-20-15(16-11)21-9-12-2-5-17(6-3-12)14(18)13-4-7-19-10-13/h4,7-8,10,12H,2-3,5-6,9H2,1H3
InChIKeyIMDNWZSVZUYQJD-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.16
Rot. Bonds4

About [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone

[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 71800795) has the molecular formula C15H18N2OS3 and a molecular weight of 338.52 g/mol. Its IUPAC name is [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID71800795
Molecular FormulaC15H18N2OS3
Molecular Weight338.52 g/mol
Exact Mass338.06
IUPAC Name[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1csc(SCC2CCN(C(=O)c3ccsc3)CC2)n1
InChIInChI=1S/C15H18N2OS3/c1-11-8-20-15(16-11)21-9-12-2-5-17(6-3-12)14(18)13-4-7-19-10-13/h4,7-8,10,12H,2-3,5-6,9H2,1H3
InChIKeyIMDNWZSVZUYQJD-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 38470283
(3-Methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 47379804
2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 53149509
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841720
2-methyl-N-(2-{2-[1-(3-thienylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)propanamide
CID 71841753
N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841793
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-4-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841905
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
2-(1,3-Thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 138034147
(5-Chlorothiophen-3-yl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 132295636
N-(2-{2-[1-(3-thienylcarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)cyclobutanecarboxamide
CID 53149521
(4-(((4-Methylthiazol-2-yl)thio)methyl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 71800779

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 71800795) is [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone is Cc1csc(SCC2CCN(C(=O)c3ccsc3)CC2)n1.
What is the InChIKey of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is IMDNWZSVZUYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS3/c1-11-8-20-15(16-11)21-9-12-2-5-17(6-3-12)14(18)13-4-7-19-10-13/h4,7-8,10,12H,2-3,5-6,9H2,1H3.
What are the key properties of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone?
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 338.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 71800795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).