cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine

C13H12F2N2S — CID 61337248

IUPACcyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine
SMILESNC(c1nc(-c2c(F)cccc2F)cs1)C1CC1
InChIInChI=1S/C13H12F2N2S/c14-8-2-1-3-9(15)11(8)10-6-18-13(17-10)12(16)7-4-5-7/h1-3,6-7,12H,4-5,16H2
InChIKeyWCUNWYQJPTYQAH-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.50
Rot. Bonds3

About cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine

cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 61337248) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID61337248
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Namecyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine
SMILESNC(c1nc(-c2c(F)cccc2F)cs1)C1CC1
InChIInChI=1S/C13H12F2N2S/c14-8-2-1-3-9(15)11(8)10-6-18-13(17-10)12(16)7-4-5-7/h1-3,6-7,12H,4-5,16H2
InChIKeyWCUNWYQJPTYQAH-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine (CID 61337248) is cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine is NC(c1nc(-c2c(F)cccc2F)cs1)C1CC1.
What is the InChIKey of cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is WCUNWYQJPTYQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c14-8-2-1-3-9(15)11(8)10-6-18-13(17-10)12(16)7-4-5-7/h1-3,6-7,12H,4-5,16H2.
What are the key properties of cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine?
cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 266.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 61337248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).