3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine

C16H18FN3S — CID 115333691

IUPAC3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)Cc1cn2ccsc2n1
InChIInChI=1S/C16H18FN3S/c1-16(2,11-3-5-12(17)6-4-11)14(18)9-13-10-20-7-8-21-15(20)19-13/h3-8,10,14H,9,18H2,1-2H3
InChIKeyHXWIMKCBMIWMDR-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.38
Rot. Bonds4

About 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine

3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine (PubChem CID 115333691) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine
PubChem CID115333691
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)Cc1cn2ccsc2n1
InChIInChI=1S/C16H18FN3S/c1-16(2,11-3-5-12(17)6-4-11)14(18)9-13-10-20-7-8-21-15(20)19-13/h3-8,10,14H,9,18H2,1-2H3
InChIKeyHXWIMKCBMIWMDR-UHFFFAOYSA-N
XLogP3.38
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023719
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105023582
N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333461
[1-(5-fluoro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105211512
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethylhexan-3-amine
CID 115334703
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 97230778
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
2-(4-ethylphenyl)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333010
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-amine
CID 115333521

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine?
The IUPAC name of 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine (CID 115333691) is 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine is CC(C)(c1ccc(F)cc1)C(N)Cc1cn2ccsc2n1.
What is the InChIKey of 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine?
The InChIKey is HXWIMKCBMIWMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-16(2,11-3-5-12(17)6-4-11)14(18)9-13-10-20-7-8-21-15(20)19-13/h3-8,10,14H,9,18H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine?
3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine has a molecular weight of 303.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine is sourced from PubChem (CID 115333691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).