(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine

C15H16FN3S — CID 97230778

IUPAC(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
SMILESCC[C@@H](NCc1cn2ccsc2n1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3S/c1-2-14(11-3-5-12(16)6-4-11)17-9-13-10-19-7-8-20-15(19)18-13/h3-8,10,14,17H,2,9H2,1H3/t14-/m1/s1
InChIKeyRFKUVNHDGHLCFX-CQSZACIVSA-N
MW289.38 g/mol
LogP3.78
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine

(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine (PubChem CID 97230778) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
PubChem CID97230778
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
SMILESCC[C@@H](NCc1cn2ccsc2n1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3S/c1-2-14(11-3-5-12(16)6-4-11)17-9-13-10-19-7-8-20-15(19)18-13/h3-8,10,14,17H,2,9H2,1H3/t14-/m1/s1
InChIKeyRFKUVNHDGHLCFX-CQSZACIVSA-N
XLogP3.78
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
CID 105023665
N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333461
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-1-ol
CID 115331507
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
1-(2,5-difluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333650
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methoxybutan-2-amine
CID 81333206
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333503
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine (CID 97230778) is (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine is CC[C@@H](NCc1cn2ccsc2n1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine?
The InChIKey is RFKUVNHDGHLCFX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FN3S/c1-2-14(11-3-5-12(16)6-4-11)17-9-13-10-19-7-8-20-15(19)18-13/h3-8,10,14,17H,2,9H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine?
(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 97230778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).