2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine

C13H14FN3S — CID 141361859

IUPAC2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine
SMILESNCC[C@@H]1CSC(c2cc3cc(F)ccc3[nH]2)=N1
InChIInChI=1S/C13H14FN3S/c14-9-1-2-11-8(5-9)6-12(17-11)13-16-10(3-4-15)7-18-13/h1-2,5-6,10,17H,3-4,7,15H2/t10-/m1/s1
InChIKeyVDLBTQZAWOVLAF-SNVBAGLBSA-N
MW263.34 g/mol
LogP2.52
Rot. Bonds3

About 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine

2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine (PubChem CID 141361859) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine
PubChem CID141361859
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine
SMILESNCC[C@@H]1CSC(c2cc3cc(F)ccc3[nH]2)=N1
InChIInChI=1S/C13H14FN3S/c14-9-1-2-11-8(5-9)6-12(17-11)13-16-10(3-4-15)7-18-13/h1-2,5-6,10,17H,3-4,7,15H2/t10-/m1/s1
InChIKeyVDLBTQZAWOVLAF-SNVBAGLBSA-N
XLogP2.52
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-fluoro-2-[(4R)-4-(2-iodoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
CID 59542947
5-fluoro-2-[(4R)-4-(2-iodoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-N-(oxan-4-yl)-1H-indol-7-amine
CID 59543019
2-(2,4-difluorophenyl)-5-fluoro-1H-indole
CID 131887083
5-(5-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985649
2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
CID 145057906
4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole
CID 150513060
1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone
CID 66974200
2-(2-bromophenyl)-5-fluoro-1H-indole
CID 131887074
(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 70701912
cyclohexyl 3-[(4R)-2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]propanoate
CID 59542979
6-chloro-2-(5-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 90333492
methyl 2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11780297

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine (CID 141361859) is 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine is NCC[C@@H]1CSC(c2cc3cc(F)ccc3[nH]2)=N1.
What is the InChIKey of 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine?
The InChIKey is VDLBTQZAWOVLAF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FN3S/c14-9-1-2-11-8(5-9)6-12(17-11)13-16-10(3-4-15)7-18-13/h1-2,5-6,10,17H,3-4,7,15H2/t10-/m1/s1.
What are the key properties of 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine?
2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 141361859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).