N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine

C17H22N2O2S — CID 2620735

IUPACN-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NC3CCCCC3)n2)c(OC)c1
InChIInChI=1S/C17H22N2O2S/c1-20-13-8-9-14(16(10-13)21-2)15-11-22-17(19-15)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,19)
InChIKeyXXGPQIXEHPQDPA-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.57
Rot. Bonds5

About N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine

N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 2620735) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID2620735
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NC3CCCCC3)n2)c(OC)c1
InChIInChI=1S/C17H22N2O2S/c1-20-13-8-9-14(16(10-13)21-2)15-11-22-17(19-15)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,19)
InChIKeyXXGPQIXEHPQDPA-UHFFFAOYSA-N
XLogP4.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 2620735) is N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NC3CCCCC3)n2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is XXGPQIXEHPQDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-20-13-8-9-14(16(10-13)21-2)15-11-22-17(19-15)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,19).
What are the key properties of N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 318.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2620735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).