[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride

C19H20ClN3OS2 — CID 71780246

IUPAC[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccs1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H19N3OS2.ClH/c23-19(17-7-4-12-24-17)22-10-8-21(9-11-22)13-18-20-16(14-25-18)15-5-2-1-3-6-15;/h1-7,12,14H,8-11,13H2;1H
InChIKeyCHBXKXHZVLLOIJ-UHFFFAOYSA-N
MW405.98 g/mol
LogP4.25
Rot. Bonds4

About [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride

[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride (PubChem CID 71780246) has the molecular formula C19H20ClN3OS2 and a molecular weight of 405.98 g/mol. Its IUPAC name is [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
PubChem CID71780246
Molecular FormulaC19H20ClN3OS2
Molecular Weight405.98 g/mol
Exact Mass405.07
IUPAC Name[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccs1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H19N3OS2.ClH/c23-19(17-7-4-12-24-17)22-10-8-21(9-11-22)13-18-20-16(14-25-18)15-5-2-1-3-6-15;/h1-7,12,14H,8-11,13H2;1H
InChIKeyCHBXKXHZVLLOIJ-UHFFFAOYSA-N
XLogP4.25
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.98
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride?
The IUPAC name of [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride (CID 71780246) is [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride is Cl.O=C(c1cccs1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride?
The InChIKey is CHBXKXHZVLLOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2.ClH/c23-19(17-7-4-12-24-17)22-10-8-21(9-11-22)13-18-20-16(14-25-18)15-5-2-1-3-6-15;/h1-7,12,14H,8-11,13H2;1H.
What are the key properties of [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride?
[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride has a molecular weight of 405.98 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 71780246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).