5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole

C10H11F2N3S — CID 166088678

IUPAC5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(-c2cnn(C(F)F)c2)s1
InChIInChI=1S/C10H11F2N3S/c1-6(2)9-13-4-8(16-9)7-3-14-15(5-7)10(11)12/h3-6,10H,1-2H3
InChIKeyRVYZFCSJDBFFBP-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.53
Rot. Bonds3

About 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole

5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole (PubChem CID 166088678) has the molecular formula C10H11F2N3S and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole
PubChem CID166088678
Molecular FormulaC10H11F2N3S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(-c2cnn(C(F)F)c2)s1
InChIInChI=1S/C10H11F2N3S/c1-6(2)9-13-4-8(16-9)7-3-14-15(5-7)10(11)12/h3-6,10H,1-2H3
InChIKeyRVYZFCSJDBFFBP-UHFFFAOYSA-N
XLogP3.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole (CID 166088678) is 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(-c2cnn(C(F)F)c2)s1.
What is the InChIKey of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is RVYZFCSJDBFFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S/c1-6(2)9-13-4-8(16-9)7-3-14-15(5-7)10(11)12/h3-6,10H,1-2H3.
What are the key properties of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole?
5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 243.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 166088678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).