N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C19H21FN4S — CID 166632472

IUPACN-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(NC4CCCCC4)n3)cc2F)cn1
InChIInChI=1S/C19H21FN4S/c1-13-10-24(12-21-13)18-8-7-14(9-16(18)20)17-11-25-19(23-17)22-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,22,23)
InChIKeyAEXCFKOCEGNDES-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.19
Rot. Bonds4

About N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 166632472) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID166632472
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC NameN-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(NC4CCCCC4)n3)cc2F)cn1
InChIInChI=1S/C19H21FN4S/c1-13-10-24(12-21-13)18-8-7-14(9-16(18)20)17-11-25-19(23-17)22-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,22,23)
InChIKeyAEXCFKOCEGNDES-UHFFFAOYSA-N
XLogP5.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 166632472) is N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is Cc1cn(-c2ccc(-c3csc(NC4CCCCC4)n3)cc2F)cn1.
What is the InChIKey of N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is AEXCFKOCEGNDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4S/c1-13-10-24(12-21-13)18-8-7-14(9-16(18)20)17-11-25-19(23-17)22-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,22,23).
What are the key properties of N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 356.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 166632472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).