N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine

C16H18FN3S — CID 115334415

IUPACN-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
SMILESCCNCC(Cc1cn2ccsc2n1)c1cccc(F)c1
InChIInChI=1S/C16H18FN3S/c1-2-18-10-13(12-4-3-5-14(17)8-12)9-15-11-20-6-7-21-16(20)19-15/h3-8,11,13,18H,2,9-10H2,1H3
InChIKeyREOSFAMXWGBXRA-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.47
Rot. Bonds6

About N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine

N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine (PubChem CID 115334415) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
PubChem CID115334415
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC NameN-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
SMILESCCNCC(Cc1cn2ccsc2n1)c1cccc(F)c1
InChIInChI=1S/C16H18FN3S/c1-2-18-10-13(12-4-3-5-14(17)8-12)9-15-11-20-6-7-21-16(20)19-15/h3-8,11,13,18H,2,9-10H2,1H3
InChIKeyREOSFAMXWGBXRA-UHFFFAOYSA-N
XLogP3.47
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334428
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
6-[3-bromo-2-(3-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 113289485
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
[1-(3,5-difluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105207779
N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333461
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182511
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 115333433
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
1-ethyl-3-[2-(3-fluorophenoxy)propyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine;hydroiodide
CID 111681047

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine (CID 115334415) is N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine is CCNCC(Cc1cn2ccsc2n1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
The InChIKey is REOSFAMXWGBXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-2-18-10-13(12-4-3-5-14(17)8-12)9-15-11-20-6-7-21-16(20)19-15/h3-8,11,13,18H,2,9-10H2,1H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine?
N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine is sourced from PubChem (CID 115334415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).