5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

C13H8Cl2F2N4S — CID 86677583

IUPAC5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H8Cl2F2N4S/c14-6-2-1-3-7(15)11(6)21-9(4-8(20-21)12(16)17)10-5-19-13(18)22-10/h1-5,12H,(H2,18,19)
InChIKeyVBBRTCSLJFJRKV-UHFFFAOYSA-N
MW361.20 g/mol
LogP4.82
Rot. Bonds3

About 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine

5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 86677583) has the molecular formula C13H8Cl2F2N4S and a molecular weight of 361.20 g/mol. Its IUPAC name is 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
PubChem CID86677583
Molecular FormulaC13H8Cl2F2N4S
Molecular Weight361.20 g/mol
Exact Mass359.98
IUPAC Name5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C13H8Cl2F2N4S/c14-6-2-1-3-7(15)11(6)21-9(4-8(20-21)12(16)17)10-5-19-13(18)22-10/h1-5,12H,(H2,18,19)
InChIKeyVBBRTCSLJFJRKV-UHFFFAOYSA-N
XLogP4.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine (CID 86677583) is 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is VBBRTCSLJFJRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N4S/c14-6-2-1-3-7(15)11(6)21-9(4-8(20-21)12(16)17)10-5-19-13(18)22-10/h1-5,12H,(H2,18,19).
What are the key properties of 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine?
5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 361.20 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86677583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).