2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole

C9H8ClN3S2 — CID 103055028

IUPAC2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SCc2cnc(Cl)cn2)n1
InChIInChI=1S/C9H8ClN3S2/c1-6-4-14-9(13-6)15-5-7-2-12-8(10)3-11-7/h2-4H,5H2,1H3
InChIKeyRDMBJMQQFGYMSX-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.19
Rot. Bonds3

About 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole

2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole (PubChem CID 103055028) has the molecular formula C9H8ClN3S2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole
PubChem CID103055028
Molecular FormulaC9H8ClN3S2
Molecular Weight257.77 g/mol
Exact Mass256.98
IUPAC Name2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(SCc2cnc(Cl)cn2)n1
InChIInChI=1S/C9H8ClN3S2/c1-6-4-14-9(13-6)15-5-7-2-12-8(10)3-11-7/h2-4H,5H2,1H3
InChIKeyRDMBJMQQFGYMSX-UHFFFAOYSA-N
XLogP3.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole (CID 103055028) is 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole is Cc1csc(SCc2cnc(Cl)cn2)n1.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is RDMBJMQQFGYMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S2/c1-6-4-14-9(13-6)15-5-7-2-12-8(10)3-11-7/h2-4H,5H2,1H3.
What are the key properties of 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole?
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 257.77 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 103055028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).