2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine

C12H10F2N2S — CID 62077686

IUPAC2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2S/c13-7-3-4-8(9(14)5-7)10-11(15)17-12(16-10)6-1-2-6/h3-6H,1-2,15H2
InChIKeyAOQQPVFGVJTMGA-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.55
Rot. Bonds2

About 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine

2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine (PubChem CID 62077686) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
PubChem CID62077686
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2S/c13-7-3-4-8(9(14)5-7)10-11(15)17-12(16-10)6-1-2-6/h3-6H,1-2,15H2
InChIKeyAOQQPVFGVJTMGA-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine (CID 62077686) is 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine is Nc1sc(C2CC2)nc1-c1ccc(F)cc1F.
What is the InChIKey of 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine?
The InChIKey is AOQQPVFGVJTMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-7-3-4-8(9(14)5-7)10-11(15)17-12(16-10)6-1-2-6/h3-6H,1-2,15H2.
What are the key properties of 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine?
2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine has a molecular weight of 252.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62077686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).