4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine

C7H5ClF2N4S — CID 162759900

IUPAC4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine
SMILESNc1sc(-c2cnn(C(F)F)c2)nc1Cl
InChIInChI=1S/C7H5ClF2N4S/c8-4-5(11)15-6(13-4)3-1-12-14(2-3)7(9)10/h1-2,7H,11H2
InChIKeyYVWLZKAVSKUGGV-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.64
Rot. Bonds2

About 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine

4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine (PubChem CID 162759900) has the molecular formula C7H5ClF2N4S and a molecular weight of 250.66 g/mol. Its IUPAC name is 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine
PubChem CID162759900
Molecular FormulaC7H5ClF2N4S
Molecular Weight250.66 g/mol
Exact Mass249.99
IUPAC Name4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine
SMILESNc1sc(-c2cnn(C(F)F)c2)nc1Cl
InChIInChI=1S/C7H5ClF2N4S/c8-4-5(11)15-6(13-4)3-1-12-14(2-3)7(9)10/h1-2,7H,11H2
InChIKeyYVWLZKAVSKUGGV-UHFFFAOYSA-N
XLogP2.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine?
The IUPAC name of 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine (CID 162759900) is 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine is Nc1sc(-c2cnn(C(F)F)c2)nc1Cl.
What is the InChIKey of 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine?
The InChIKey is YVWLZKAVSKUGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N4S/c8-4-5(11)15-6(13-4)3-1-12-14(2-3)7(9)10/h1-2,7H,11H2.
What are the key properties of 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine?
4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine has a molecular weight of 250.66 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 162759900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).