5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine

C15H18FN3S — CID 103502298

IUPAC5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C15H18FN3S/c1-2-6-17-15-18-9-13(20-15)10-19-7-5-11-3-4-12(16)8-14(11)19/h3-4,8-9H,2,5-7,10H2,1H3,(H,17,18)
InChIKeyDGFGFFMVJFGLQH-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.67
Rot. Bonds5

About 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine

5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 103502298) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID103502298
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C15H18FN3S/c1-2-6-17-15-18-9-13(20-15)10-19-7-5-11-3-4-12(16)8-14(11)19/h3-4,8-9H,2,5-7,10H2,1H3,(H,17,18)
InChIKeyDGFGFFMVJFGLQH-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine (CID 103502298) is 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN2CCc3ccc(F)cc32)s1.
What is the InChIKey of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is DGFGFFMVJFGLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-2-6-17-15-18-9-13(20-15)10-19-7-5-11-3-4-12(16)8-14(11)19/h3-4,8-9H,2,5-7,10H2,1H3,(H,17,18).
What are the key properties of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 103502298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).