N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

C24H24FN3OS — CID 59578883

IUPACN-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cccc(F)c1-c1nc2scc(-c3ccccc3)n2c1NC1CCCCC1
InChIInChI=1S/C24H24FN3OS/c1-29-20-14-8-13-18(25)21(20)22-23(26-17-11-6-3-7-12-17)28-19(15-30-24(28)27-22)16-9-4-2-5-10-16/h2,4-5,8-10,13-15,17,26H,3,6-7,11-12H2,1H3
InChIKeyNDPUMLGROHZWQD-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.62
Rot. Bonds5

About N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine

N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59578883) has the molecular formula C24H24FN3OS and a molecular weight of 421.54 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59578883
Molecular FormulaC24H24FN3OS
Molecular Weight421.54 g/mol
Exact Mass421.16
IUPAC NameN-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cccc(F)c1-c1nc2scc(-c3ccccc3)n2c1NC1CCCCC1
InChIInChI=1S/C24H24FN3OS/c1-29-20-14-8-13-18(25)21(20)22-23(26-17-11-6-3-7-12-17)28-19(15-30-24(28)27-22)16-9-4-2-5-10-16/h2,4-5,8-10,13-15,17,26H,3,6-7,11-12H2,1H3
InChIKeyNDPUMLGROHZWQD-UHFFFAOYSA-N
XLogP6.62
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59578883) is N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is COc1cccc(F)c1-c1nc2scc(-c3ccccc3)n2c1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is NDPUMLGROHZWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3OS/c1-29-20-14-8-13-18(25)21(20)22-23(26-17-11-6-3-7-12-17)28-19(15-30-24(28)27-22)16-9-4-2-5-10-16/h2,4-5,8-10,13-15,17,26H,3,6-7,11-12H2,1H3.
What are the key properties of N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine?
N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 421.54 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59578883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).