N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine

C15H15FN2S — CID 116531556

IUPACN-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
SMILESFc1ccc2c(c1)CCC2(NC1CC1)c1nccs1
InChIInChI=1S/C15H15FN2S/c16-11-1-4-13-10(9-11)5-6-15(13,18-12-2-3-12)14-17-7-8-19-14/h1,4,7-9,12,18H,2-3,5-6H2
InChIKeyNACFYKQZIJWURJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.22
Rot. Bonds3

About N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine

N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine (PubChem CID 116531556) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
PubChem CID116531556
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC NameN-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
SMILESFc1ccc2c(c1)CCC2(NC1CC1)c1nccs1
InChIInChI=1S/C15H15FN2S/c16-11-1-4-13-10(9-11)5-6-15(13,18-12-2-3-12)14-17-7-8-19-14/h1,4,7-9,12,18H,2-3,5-6H2
InChIKeyNACFYKQZIJWURJ-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The IUPAC name of N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine (CID 116531556) is N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The canonical SMILES for N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine is Fc1ccc2c(c1)CCC2(NC1CC1)c1nccs1.
What is the InChIKey of N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
The InChIKey is NACFYKQZIJWURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c16-11-1-4-13-10(9-11)5-6-15(13,18-12-2-3-12)14-17-7-8-19-14/h1,4,7-9,12,18H,2-3,5-6H2.
What are the key properties of N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine?
N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116531556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).