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

C19H22FN3OS — CID 59579083

IUPACN-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cccc(F)c1-c1nc2scc(C)n2c1NC1CCCCC1
InChIInChI=1S/C19H22FN3OS/c1-12-11-25-19-22-17(16-14(20)9-6-10-15(16)24-2)18(23(12)19)21-13-7-4-3-5-8-13/h6,9-11,13,21H,3-5,7-8H2,1-2H3
InChIKeyPKPZCBVWIHIAJI-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.26
Rot. Bonds4

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

N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59579083) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59579083
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC NameN-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cccc(F)c1-c1nc2scc(C)n2c1NC1CCCCC1
InChIInChI=1S/C19H22FN3OS/c1-12-11-25-19-22-17(16-14(20)9-6-10-15(16)24-2)18(23(12)19)21-13-7-4-3-5-8-13/h6,9-11,13,21H,3-5,7-8H2,1-2H3
InChIKeyPKPZCBVWIHIAJI-UHFFFAOYSA-N
XLogP5.26
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.26
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-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59579083) is N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is COc1cccc(F)c1-c1nc2scc(C)n2c1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is PKPZCBVWIHIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-12-11-25-19-22-17(16-14(20)9-6-10-15(16)24-2)18(23(12)19)21-13-7-4-3-5-8-13/h6,9-11,13,21H,3-5,7-8H2,1-2H3.
What are the key properties of N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 359.47 g/mol, XLogP of 5.26, 4 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-methylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59579083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).