3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine

C23H24FN3OS — CID 71016404

IUPAC3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cccc(F)c1-c1nc2scc(C3=CC=CCC3)n2c1NC1CCCC1
InChIInChI=1S/C23H24FN3OS/c1-28-19-13-7-12-17(24)20(19)21-22(25-16-10-5-6-11-16)27-18(14-29-23(27)26-21)15-8-3-2-4-9-15/h2-3,7-8,12-14,16,25H,4-6,9-11H2,1H3
InChIKeyUINJIHYYQYNPIB-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.30
Rot. Bonds5

About 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine

3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 71016404) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID71016404
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC Name3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cccc(F)c1-c1nc2scc(C3=CC=CCC3)n2c1NC1CCCC1
InChIInChI=1S/C23H24FN3OS/c1-28-19-13-7-12-17(24)20(19)21-22(25-16-10-5-6-11-16)27-18(14-29-23(27)26-21)15-8-3-2-4-9-15/h2-3,7-8,12-14,16,25H,4-6,9-11H2,1H3
InChIKeyUINJIHYYQYNPIB-UHFFFAOYSA-N
XLogP6.30
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 71016404) is 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine is COc1cccc(F)c1-c1nc2scc(C3=CC=CCC3)n2c1NC1CCCC1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is UINJIHYYQYNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c1-28-19-13-7-12-17(24)20(19)21-22(25-16-10-5-6-11-16)27-18(14-29-23(27)26-21)15-8-3-2-4-9-15/h2-3,7-8,12-14,16,25H,4-6,9-11H2,1H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 409.53 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-N-cyclopentyl-6-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 71016404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).