4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole

C14H11N3S2 — CID 47061949

IUPAC4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole
SMILESCSc1ccc(-c2csc(-c3cnccn3)n2)cc1
InChIInChI=1S/C14H11N3S2/c1-18-11-4-2-10(3-5-11)13-9-19-14(17-13)12-8-15-6-7-16-12/h2-9H,1H3
InChIKeyZPPFHJILRLKZMW-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.99
Rot. Bonds3

About 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole

4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 47061949) has the molecular formula C14H11N3S2 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole
PubChem CID47061949
Molecular FormulaC14H11N3S2
Molecular Weight285.40 g/mol
Exact Mass285.04
IUPAC Name4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole
SMILESCSc1ccc(-c2csc(-c3cnccn3)n2)cc1
InChIInChI=1S/C14H11N3S2/c1-18-11-4-2-10(3-5-11)13-9-19-14(17-13)12-8-15-6-7-16-12/h2-9H,1H3
InChIKeyZPPFHJILRLKZMW-UHFFFAOYSA-N
XLogP3.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole (CID 47061949) is 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole is CSc1ccc(-c2csc(-c3cnccn3)n2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is ZPPFHJILRLKZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S2/c1-18-11-4-2-10(3-5-11)13-9-19-14(17-13)12-8-15-6-7-16-12/h2-9H,1H3.
What are the key properties of 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole?
4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 285.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 47061949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).