[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C17H17N3OS3 — CID 9182078

IUPAC[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C17H17N3OS3/c21-17(15-12-24-16(18-15)14-2-8-23-11-14)20-5-3-19(4-6-20)9-13-1-7-22-10-13/h1-2,7-8,10-12H,3-6,9H2
InChIKeyJHQFWPWNUKIRBG-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.89
Rot. Bonds4

About [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 9182078) has the molecular formula C17H17N3OS3 and a molecular weight of 375.54 g/mol. Its IUPAC name is [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID9182078
Molecular FormulaC17H17N3OS3
Molecular Weight375.54 g/mol
Exact Mass375.05
IUPAC Name[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C17H17N3OS3/c21-17(15-12-24-16(18-15)14-2-8-23-11-14)20-5-3-19(4-6-20)9-13-1-7-22-10-13/h1-2,7-8,10-12H,3-6,9H2
InChIKeyJHQFWPWNUKIRBG-UHFFFAOYSA-N
XLogP3.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 9182078) is [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccsc2)n1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is JHQFWPWNUKIRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS3/c21-17(15-12-24-16(18-15)14-2-8-23-11-14)20-5-3-19(4-6-20)9-13-1-7-22-10-13/h1-2,7-8,10-12H,3-6,9H2.
What are the key properties of [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
[4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 375.54 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophen-3-ylmethyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 9182078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).