4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole

C10H11ClN4S2 — CID 83151968

IUPAC4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESClc1csc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C10H11ClN4S2/c11-8-7-17-10(13-8)15-4-2-14(3-5-15)9-12-1-6-16-9/h1,6-7H,2-5H2
InChIKeyRJHOKCYXDTWSLW-UHFFFAOYSA-N
MW286.81 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole

4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 83151968) has the molecular formula C10H11ClN4S2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID83151968
Molecular FormulaC10H11ClN4S2
Molecular Weight286.81 g/mol
Exact Mass286.01
IUPAC Name4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESClc1csc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C10H11ClN4S2/c11-8-7-17-10(13-8)15-4-2-14(3-5-15)9-12-1-6-16-9/h1,6-7H,2-5H2
InChIKeyRJHOKCYXDTWSLW-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole (CID 83151968) is 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole is Clc1csc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is RJHOKCYXDTWSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S2/c11-8-7-17-10(13-8)15-4-2-14(3-5-15)9-12-1-6-16-9/h1,6-7H,2-5H2.
What are the key properties of 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole?
4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 286.81 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 83151968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).