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

C8H7ClF2N4S — CID 139295157

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
SMILESFC(F)n1ccc(NCc2cnc(Cl)s2)n1
InChIInChI=1S/C8H7ClF2N4S/c9-7-13-4-5(16-7)3-12-6-1-2-15(14-6)8(10)11/h1-2,4,8H,3H2,(H,12,14)
InChIKeyVRHBBJMUWWYFHQ-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.00
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine (PubChem CID 139295157) has the molecular formula C8H7ClF2N4S and a molecular weight of 264.69 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
PubChem CID139295157
Molecular FormulaC8H7ClF2N4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine
SMILESFC(F)n1ccc(NCc2cnc(Cl)s2)n1
InChIInChI=1S/C8H7ClF2N4S/c9-7-13-4-5(16-7)3-12-6-1-2-15(14-6)8(10)11/h1-2,4,8H,3H2,(H,12,14)
InChIKeyVRHBBJMUWWYFHQ-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine (CID 139295157) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine is FC(F)n1ccc(NCc2cnc(Cl)s2)n1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine?
The InChIKey is VRHBBJMUWWYFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4S/c9-7-13-4-5(16-7)3-12-6-1-2-15(14-6)8(10)11/h1-2,4,8H,3H2,(H,12,14).
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine has a molecular weight of 264.69 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 139295157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).