1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone

C19H18ClN3OS2 — CID 653665

IUPAC1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C19H18ClN3OS2/c20-15-5-3-14(4-6-15)17-13-26-19(21-17)23-9-7-22(8-10-23)18(24)12-16-2-1-11-25-16/h1-6,11,13H,7-10,12H2
InChIKeyPEHHTSSJQUEPNT-UHFFFAOYSA-N
MW403.96 g/mol
LogP4.42
Rot. Bonds4

About 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 653665) has the molecular formula C19H18ClN3OS2 and a molecular weight of 403.96 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID653665
Molecular FormulaC19H18ClN3OS2
Molecular Weight403.96 g/mol
Exact Mass403.06
IUPAC Name1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1
InChIInChI=1S/C19H18ClN3OS2/c20-15-5-3-14(4-6-15)17-13-26-19(21-17)23-9-7-22(8-10-23)18(24)12-16-2-1-11-25-16/h1-6,11,13H,7-10,12H2
InChIKeyPEHHTSSJQUEPNT-UHFFFAOYSA-N
XLogP4.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.96
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone (CID 653665) is 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is PEHHTSSJQUEPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS2/c20-15-5-3-14(4-6-15)17-13-26-19(21-17)23-9-7-22(8-10-23)18(24)12-16-2-1-11-25-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 403.96 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 653665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).