4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole

C13H16ClN3S2 — CID 63342467

IUPAC4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
SMILESCC(c1nc(-c2ccc(Cl)s2)cs1)N1CCNCC1
InChIInChI=1S/C13H16ClN3S2/c1-9(17-6-4-15-5-7-17)13-16-10(8-18-13)11-2-3-12(14)19-11/h2-3,8-9,15H,4-7H2,1H3
InChIKeyBJXNFAMXPHDBPW-UHFFFAOYSA-N
MW313.88 g/mol
LogP3.49
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole

4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole (PubChem CID 63342467) has the molecular formula C13H16ClN3S2 and a molecular weight of 313.88 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
PubChem CID63342467
Molecular FormulaC13H16ClN3S2
Molecular Weight313.88 g/mol
Exact Mass313.05
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
SMILESCC(c1nc(-c2ccc(Cl)s2)cs1)N1CCNCC1
InChIInChI=1S/C13H16ClN3S2/c1-9(17-6-4-15-5-7-17)13-16-10(8-18-13)11-2-3-12(14)19-11/h2-3,8-9,15H,4-7H2,1H3
InChIKeyBJXNFAMXPHDBPW-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole (CID 63342467) is 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole is CC(c1nc(-c2ccc(Cl)s2)cs1)N1CCNCC1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The InChIKey is BJXNFAMXPHDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S2/c1-9(17-6-4-15-5-7-17)13-16-10(8-18-13)11-2-3-12(14)19-11/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole has a molecular weight of 313.88 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 63342467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).