4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole

C14H18ClN5S — CID 133272934

IUPAC4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3cncc(Cl)n3)CC2)cs1
InChIInChI=1S/C14H18ClN5S/c1-2-14-17-11(10-21-14)9-19-3-5-20(6-4-19)13-8-16-7-12(15)18-13/h7-8,10H,2-6,9H2,1H3
InChIKeyIXDVEBMVACRROT-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.47
Rot. Bonds4

About 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole

4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole (PubChem CID 133272934) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
PubChem CID133272934
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3cncc(Cl)n3)CC2)cs1
InChIInChI=1S/C14H18ClN5S/c1-2-14-17-11(10-21-14)9-19-3-5-20(6-4-19)13-8-16-7-12(15)18-13/h7-8,10H,2-6,9H2,1H3
InChIKeyIXDVEBMVACRROT-UHFFFAOYSA-N
XLogP2.47
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole (CID 133272934) is 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole is CCc1nc(CN2CCN(c3cncc(Cl)n3)CC2)cs1.
What is the InChIKey of 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The InChIKey is IXDVEBMVACRROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-2-14-17-11(10-21-14)9-19-3-5-20(6-4-19)13-8-16-7-12(15)18-13/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole has a molecular weight of 323.85 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 133272934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).