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

C7H4ClF2N3S — CID 177229933

IUPAC4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole
SMILESFC(F)n1cc(-c2nc(Cl)cs2)cn1
InChIInChI=1S/C7H4ClF2N3S/c8-5-3-14-6(12-5)4-1-11-13(2-4)7(9)10/h1-3,7H
InChIKeyWLAPTTGEDHKXMH-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.06
Rot. Bonds2

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

4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole (PubChem CID 177229933) has the molecular formula C7H4ClF2N3S and a molecular weight of 235.65 g/mol. Its IUPAC name is 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole
PubChem CID177229933
Molecular FormulaC7H4ClF2N3S
Molecular Weight235.65 g/mol
Exact Mass234.98
IUPAC Name4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole
SMILESFC(F)n1cc(-c2nc(Cl)cs2)cn1
InChIInChI=1S/C7H4ClF2N3S/c8-5-3-14-6(12-5)4-1-11-13(2-4)7(9)10/h1-3,7H
InChIKeyWLAPTTGEDHKXMH-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 79402194
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CID 75431500
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CID 96508015
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CID 117761225
CID 117761225
CID 117762083
CID 117762083
CID 162759900
CID 162759900
CID 169163793
CID 169163793
CID 170408837
CID 170408837
CID 64177813
CID 64177813
CID 64178104
CID 64178104
CID 64178105
CID 64178105
CID 64178106
CID 64178106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole (CID 177229933) is 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole is FC(F)n1cc(-c2nc(Cl)cs2)cn1.
What is the InChIKey of 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole?
The InChIKey is WLAPTTGEDHKXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3S/c8-5-3-14-6(12-5)4-1-11-13(2-4)7(9)10/h1-3,7H.
What are the key properties of 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole?
4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole has a molecular weight of 235.65 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 177229933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).