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

C15H18N2OS3 — CID 71800779

IUPAC[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1csc(SCC2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C15H18N2OS3/c1-11-9-20-15(16-11)21-10-12-4-6-17(7-5-12)14(18)13-3-2-8-19-13/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyLPSCPNMHJCSNSZ-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.16
Rot. Bonds4

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

[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 71800779) 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-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID71800779
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-2-ylmethanone
SMILESCc1csc(SCC2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C15H18N2OS3/c1-11-9-20-15(16-11)21-10-12-4-6-17(7-5-12)14(18)13-3-2-8-19-13/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyLPSCPNMHJCSNSZ-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

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Related Compounds

4,4,4-Trifluoro-1-[4-[4-(2-thienyl)thiazol-2-yl]-1-piperidyl]butan-1-one
CID 56946265
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CID 45891557
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 3238025
(4-{[4-(p-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)(2-thienyl)methanone
CID 29698188
(o-Fluorophenyl)(4-{[4-(2-thienyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)methanone
CID 30860602
[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 37847426
[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-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]thiophene-3-carbonitrile
CID 53603053
(3-Ethylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 53607221
(3-Methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 53607223
(3-Propan-2-ylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 53613479

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 71800779) is [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1csc(SCC2CCN(C(=O)c3cccs3)CC2)n1.
What is the InChIKey of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is LPSCPNMHJCSNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS3/c1-11-9-20-15(16-11)21-10-12-4-6-17(7-5-12)14(18)13-3-2-8-19-13/h2-3,8-9,12H,4-7,10H2,1H3.
What are the key properties of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-thiophen-2-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-2-ylmethanone is sourced from PubChem (CID 71800779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).