2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine

C15H16F2N2S — CID 63470218

IUPAC2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCCC2)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2S/c16-11-7-6-10(8-12(11)17)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2
InChIKeyYMNOPEJUJHNKQW-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.72
Rot. Bonds2

About 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine

2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine (PubChem CID 63470218) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine
PubChem CID63470218
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CCCCC2)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2S/c16-11-7-6-10(8-12(11)17)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2
InChIKeyYMNOPEJUJHNKQW-UHFFFAOYSA-N
XLogP4.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine (CID 63470218) is 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine is Nc1sc(C2CCCCC2)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine?
The InChIKey is YMNOPEJUJHNKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c16-11-7-6-10(8-12(11)17)13-14(18)20-15(19-13)9-4-2-1-3-5-9/h6-9H,1-5,18H2.
What are the key properties of 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine?
2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine has a molecular weight of 294.37 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(3,4-difluorophenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 63470218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).