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

C14H16FN3S — CID 103502293

IUPACN-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C14H16FN3S/c1-2-16-14-17-8-12(19-14)9-18-6-5-10-3-4-11(15)7-13(10)18/h3-4,7-8H,2,5-6,9H2,1H3,(H,16,17)
InChIKeyDODYSMWVDJBQJX-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.28
Rot. Bonds4

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

N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 103502293) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID103502293
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC NameN-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C14H16FN3S/c1-2-16-14-17-8-12(19-14)9-18-6-5-10-3-4-11(15)7-13(10)18/h3-4,7-8H,2,5-6,9H2,1H3,(H,16,17)
InChIKeyDODYSMWVDJBQJX-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine (CID 103502293) is N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine is CCNc1ncc(CN2CCc3ccc(F)cc32)s1.
What is the InChIKey of N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DODYSMWVDJBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-2-16-14-17-8-12(19-14)9-18-6-5-10-3-4-11(15)7-13(10)18/h3-4,7-8H,2,5-6,9H2,1H3,(H,16,17).
What are the key properties of N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103502293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).