4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole

C8H8FN3S — CID 170039715

IUPAC4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole
SMILESCCc1csc(-n2cc(F)cn2)n1
InChIInChI=1S/C8H8FN3S/c1-2-7-5-13-8(11-7)12-4-6(9)3-10-12/h3-5H,2H2,1H3
InChIKeyOWBIAFFKEIMXPE-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.03
Rot. Bonds2

About 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole

4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole (PubChem CID 170039715) has the molecular formula C8H8FN3S and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole
PubChem CID170039715
Molecular FormulaC8H8FN3S
Molecular Weight197.24 g/mol
Exact Mass197.04
IUPAC Name4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole
SMILESCCc1csc(-n2cc(F)cn2)n1
InChIInChI=1S/C8H8FN3S/c1-2-7-5-13-8(11-7)12-4-6(9)3-10-12/h3-5H,2H2,1H3
InChIKeyOWBIAFFKEIMXPE-UHFFFAOYSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole, 2-(4-aminopyrazol-1-yl)-4-methyl-
CID 206686
Thiazole, 2-(4-(dimethylamino)pyrazol-1-yl)-4-methyl-, dihydrochloride
CID 206700
3-Trifluoromethyl-1-(2-thiazolyl)pyrazole
CID 122641792
2-Pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 122641793
4-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 141497303
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 168853536
(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 168853566
(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 168853568
(R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 168853606
1-[2-(4-Fluoro-1H-pyrazol-1-yl)-4-thiazolyl]ethanone
CID 168853627
[2-(4-Fluoropyrazol-1-yl)-1,3-thiazol-4-yl]methanamine
CID 170039658
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3-thiazole
CID 173589740

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole (CID 170039715) is 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole is CCc1csc(-n2cc(F)cn2)n1.
What is the InChIKey of 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole?
The InChIKey is OWBIAFFKEIMXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3S/c1-2-7-5-13-8(11-7)12-4-6(9)3-10-12/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole?
4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole has a molecular weight of 197.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 170039715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).