5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine

C12H11F2N3S — CID 120902647

IUPAC5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3c(F)cc(F)cc32)s1
InChIInChI=1S/C12H11F2N3S/c13-7-3-10(14)9-1-2-17(11(9)4-7)6-8-5-16-12(15)18-8/h3-5H,1-2,6H2,(H2,15,16)
InChIKeyVJQZIFDOOPSYIT-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.57
Rot. Bonds2

About 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine

5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120902647) has the molecular formula C12H11F2N3S and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120902647
Molecular FormulaC12H11F2N3S
Molecular Weight267.30 g/mol
Exact Mass267.06
IUPAC Name5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3c(F)cc(F)cc32)s1
InChIInChI=1S/C12H11F2N3S/c13-7-3-10(14)9-1-2-17(11(9)4-7)6-8-5-16-12(15)18-8/h3-5H,1-2,6H2,(H2,15,16)
InChIKeyVJQZIFDOOPSYIT-UHFFFAOYSA-N
XLogP2.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine (CID 120902647) is 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCc3c(F)cc(F)cc32)s1.
What is the InChIKey of 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is VJQZIFDOOPSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3S/c13-7-3-10(14)9-1-2-17(11(9)4-7)6-8-5-16-12(15)18-8/h3-5H,1-2,6H2,(H2,15,16).
What are the key properties of 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 267.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).