1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine

C17H21FN2S — CID 116531552

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine
SMILESCCCNC1(c2nc(C)c(C)s2)CCc2cc(F)ccc21
InChIInChI=1S/C17H21FN2S/c1-4-9-19-17(16-20-11(2)12(3)21-16)8-7-13-10-14(18)5-6-15(13)17/h5-6,10,19H,4,7-9H2,1-3H3
InChIKeyWMWCTPKJRGTJII-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.09
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine (PubChem CID 116531552) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine
PubChem CID116531552
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine
SMILESCCCNC1(c2nc(C)c(C)s2)CCc2cc(F)ccc21
InChIInChI=1S/C17H21FN2S/c1-4-9-19-17(16-20-11(2)12(3)21-16)8-7-13-10-14(18)5-6-15(13)17/h5-6,10,19H,4,7-9H2,1-3H3
InChIKeyWMWCTPKJRGTJII-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine (CID 116531552) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine is CCCNC1(c2nc(C)c(C)s2)CCc2cc(F)ccc21.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine?
The InChIKey is WMWCTPKJRGTJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-4-9-19-17(16-20-11(2)12(3)21-16)8-7-13-10-14(18)5-6-15(13)17/h5-6,10,19H,4,7-9H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine has a molecular weight of 304.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-fluoro-N-propyl-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116531552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).