2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole

C13H17N3S2 — CID 55202761

IUPAC2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole
SMILESCC(c1nc(-c2cccs2)cs1)N1CCNCC1
InChIInChI=1S/C13H17N3S2/c1-10(16-6-4-14-5-7-16)13-15-11(9-18-13)12-3-2-8-17-12/h2-3,8-10,14H,4-7H2,1H3
InChIKeyZRDLCAZQZVZSMV-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.84
Rot. Bonds3

About 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole

2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole (PubChem CID 55202761) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole
PubChem CID55202761
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole
SMILESCC(c1nc(-c2cccs2)cs1)N1CCNCC1
InChIInChI=1S/C13H17N3S2/c1-10(16-6-4-14-5-7-16)13-15-11(9-18-13)12-3-2-8-17-12/h2-3,8-10,14H,4-7H2,1H3
InChIKeyZRDLCAZQZVZSMV-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole (CID 55202761) is 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole is CC(c1nc(-c2cccs2)cs1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is ZRDLCAZQZVZSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-10(16-6-4-14-5-7-16)13-15-11(9-18-13)12-3-2-8-17-12/h2-3,8-10,14H,4-7H2,1H3.
What are the key properties of 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole?
2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 279.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 55202761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).