1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine

C16H19N3S — CID 82025704

IUPAC1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine
SMILESCCc1c(-c2ccc(C(C)N)cc2)nc2scc(C)n12
InChIInChI=1S/C16H19N3S/c1-4-14-15(18-16-19(14)10(2)9-20-16)13-7-5-12(6-8-13)11(3)17/h5-9,11H,4,17H2,1-3H3
InChIKeyRXPUTCSJHRCZJG-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.95
Rot. Bonds3

About 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine

1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine (PubChem CID 82025704) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine
PubChem CID82025704
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine
SMILESCCc1c(-c2ccc(C(C)N)cc2)nc2scc(C)n12
InChIInChI=1S/C16H19N3S/c1-4-14-15(18-16-19(14)10(2)9-20-16)13-7-5-12(6-8-13)11(3)17/h5-9,11H,4,17H2,1-3H3
InChIKeyRXPUTCSJHRCZJG-UHFFFAOYSA-N
XLogP3.95
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-ethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194934
2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194944
6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225126
6-(4-methoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225125
2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210700
3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068664
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194938
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 39194990
2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210815
ethyl 2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoate
CID 61498662

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine (CID 82025704) is 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine is CCc1c(-c2ccc(C(C)N)cc2)nc2scc(C)n12.
What is the InChIKey of 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine?
The InChIKey is RXPUTCSJHRCZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-4-14-15(18-16-19(14)10(2)9-20-16)13-7-5-12(6-8-13)11(3)17/h5-9,11H,4,17H2,1-3H3.
What are the key properties of 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine?
1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine is sourced from PubChem (CID 82025704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).