4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole

C13H22FN3S — CID 158502661

IUPAC4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole
SMILESC.CC(C)c1[nH]ncc1F.CC(C)c1nccs1
InChIInChI=1S/C6H9FN2.C6H9NS.CH4/c1-4(2)6-5(7)3-8-9-6;1-5(2)6-7-3-4-8-6;/h3-4H,1-2H3,(H,8,9);3-5H,1-2H3;1H4
InChIKeyHKBVWRANQUZZPY-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.57
Rot. Bonds2

About 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole

4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole (PubChem CID 158502661) has the molecular formula C13H22FN3S and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole
PubChem CID158502661
Molecular FormulaC13H22FN3S
Molecular Weight271.40 g/mol
Exact Mass271.15
IUPAC Name4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole
SMILESC.CC(C)c1[nH]ncc1F.CC(C)c1nccs1
InChIInChI=1S/C6H9FN2.C6H9NS.CH4/c1-4(2)6-5(7)3-8-9-6;1-5(2)6-7-3-4-8-6;/h3-4H,1-2H3,(H,8,9);3-5H,1-2H3;1H4
InChIKeyHKBVWRANQUZZPY-UHFFFAOYSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
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N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indazol-4-amine
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N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
2-(1-bromopropan-2-yl)-1,3-thiazole
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2,6-dichloro-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 83076313
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CID 64990454

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole (CID 158502661) is 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole is C.CC(C)c1[nH]ncc1F.CC(C)c1nccs1.
What is the InChIKey of 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole?
The InChIKey is HKBVWRANQUZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2.C6H9NS.CH4/c1-4(2)6-5(7)3-8-9-6;1-5(2)6-7-3-4-8-6;/h3-4H,1-2H3,(H,8,9);3-5H,1-2H3;1H4.
What are the key properties of 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole?
4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole has a molecular weight of 271.40 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158502661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).