N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

C16H18FN3S — CID 115333461

IUPACN-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1cn2ccsc2n1
InChIInChI=1S/C16H18FN3S/c1-2-18-14(9-12-3-5-13(17)6-4-12)10-15-11-20-7-8-21-16(20)19-15/h3-8,11,14,18H,2,9-10H2,1H3
InChIKeyVMDLDUYENQFTIW-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (PubChem CID 115333461) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
PubChem CID115333461
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC NameN-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)Cc1cn2ccsc2n1
InChIInChI=1S/C16H18FN3S/c1-2-18-14(9-12-3-5-13(17)6-4-12)10-15-11-20-7-8-21-16(20)19-15/h3-8,11,14,18H,2,9-10H2,1H3
InChIKeyVMDLDUYENQFTIW-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-pyridin-4-ylpropan-2-amine
CID 115333586
1-(2,5-difluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333650
1-(cyclohexen-1-yl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 116661937
1-cyclopropyl-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 113289267
N-ethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylsulfanylpropan-2-amine
CID 113289225
[1-(4-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl]hydrazine
CID 105195463
(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 97230778
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
CID 105023665
N,3-diethyl-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxypentan-2-amine
CID 116761301
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333503
1-(2,6-difluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 105023533
3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine
CID 115333691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (CID 115333461) is N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is CCNC(Cc1ccc(F)cc1)Cc1cn2ccsc2n1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The InChIKey is VMDLDUYENQFTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-2-18-14(9-12-3-5-13(17)6-4-12)10-15-11-20-7-8-21-16(20)19-15/h3-8,11,14,18H,2,9-10H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine has a molecular weight of 303.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is sourced from PubChem (CID 115333461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).