2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole

C11H13ClN6OS — CID 62858819

IUPAC2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCOc1nc(Cl)nc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C11H13ClN6OS/c1-19-10-15-8(12)14-9(16-10)17-3-5-18(6-4-17)11-13-2-7-20-11/h2,7H,3-6H2,1H3
InChIKeyUGZNQBNLDSSNPC-UHFFFAOYSA-N
MW312.79 g/mol
LogP1.32
Rot. Bonds3

About 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole

2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 62858819) has the molecular formula C11H13ClN6OS and a molecular weight of 312.79 g/mol. Its IUPAC name is 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID62858819
Molecular FormulaC11H13ClN6OS
Molecular Weight312.79 g/mol
Exact Mass312.06
IUPAC Name2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCOc1nc(Cl)nc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C11H13ClN6OS/c1-19-10-15-8(12)14-9(16-10)17-3-5-18(6-4-17)11-13-2-7-20-11/h2,7H,3-6H2,1H3
InChIKeyUGZNQBNLDSSNPC-UHFFFAOYSA-N
XLogP1.32
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole (CID 62858819) is 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole is COc1nc(Cl)nc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is UGZNQBNLDSSNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6OS/c1-19-10-15-8(12)14-9(16-10)17-3-5-18(6-4-17)11-13-2-7-20-11/h2,7H,3-6H2,1H3.
What are the key properties of 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole?
2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 312.79 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 62858819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).