2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole

C10H13N3S — CID 141392260

IUPAC2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole
SMILESCC(C)Cn1cc(-c2nccs2)cn1
InChIInChI=1S/C10H13N3S/c1-8(2)6-13-7-9(5-12-13)10-11-3-4-14-10/h3-5,7-8H,6H2,1-2H3
InChIKeyHSJFCOJIHVKKEF-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.66
Rot. Bonds3

About 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole

2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole (PubChem CID 141392260) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole
PubChem CID141392260
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole
SMILESCC(C)Cn1cc(-c2nccs2)cn1
InChIInChI=1S/C10H13N3S/c1-8(2)6-13-7-9(5-12-13)10-11-3-4-14-10/h3-5,7-8H,6H2,1-2H3
InChIKeyHSJFCOJIHVKKEF-UHFFFAOYSA-N
XLogP2.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole (CID 141392260) is 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole is CC(C)Cn1cc(-c2nccs2)cn1.
What is the InChIKey of 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole?
The InChIKey is HSJFCOJIHVKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8(2)6-13-7-9(5-12-13)10-11-3-4-14-10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole?
2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole has a molecular weight of 207.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)pyrazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 141392260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).