2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole

C9H10ClN3S — CID 82880479

IUPAC2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole
SMILESCCc1nn(-c2nccs2)c(Cl)c1C
InChIInChI=1S/C9H10ClN3S/c1-3-7-6(2)8(10)13(12-7)9-11-4-5-14-9/h4-5H,3H2,1-2H3
InChIKeyUYYRLWCYIGMHBE-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.85
Rot. Bonds2

About 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole

2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole (PubChem CID 82880479) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole
PubChem CID82880479
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole
SMILESCCc1nn(-c2nccs2)c(Cl)c1C
InChIInChI=1S/C9H10ClN3S/c1-3-7-6(2)8(10)13(12-7)9-11-4-5-14-9/h4-5H,3H2,1-2H3
InChIKeyUYYRLWCYIGMHBE-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole (CID 82880479) is 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole is CCc1nn(-c2nccs2)c(Cl)c1C.
What is the InChIKey of 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is UYYRLWCYIGMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c1-3-7-6(2)8(10)13(12-7)9-11-4-5-14-9/h4-5H,3H2,1-2H3.
What are the key properties of 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole?
2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 227.72 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 82880479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).