2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole

C7H7N3S2 — CID 2740110

IUPAC2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole
SMILESCSc1cc(-c2nccs2)[nH]n1
InChIInChI=1S/C7H7N3S2/c1-11-6-4-5(9-10-6)7-8-2-3-12-7/h2-4H,1H3,(H,9,10)
InChIKeyVPXHHISDYQDPOJ-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.26
Rot. Bonds2

About 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole

2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 2740110) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID2740110
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Name2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole
SMILESCSc1cc(-c2nccs2)[nH]n1
InChIInChI=1S/C7H7N3S2/c1-11-6-4-5(9-10-6)7-8-2-3-12-7/h2-4H,1H3,(H,9,10)
InChIKeyVPXHHISDYQDPOJ-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole (CID 2740110) is 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole is CSc1cc(-c2nccs2)[nH]n1.
What is the InChIKey of 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is VPXHHISDYQDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c1-11-6-4-5(9-10-6)7-8-2-3-12-7/h2-4H,1H3,(H,9,10).
What are the key properties of 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole?
2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 197.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanyl-1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 2740110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).