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

C18H24N2O3S — CID 4791502

IUPACN-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2csc(NC3CCCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O3S/c1-21-15-9-12(10-16(22-2)17(15)23-3)14-11-24-18(20-14)19-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,19,20)
InChIKeyOAFFJWURAXUAAK-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.58
Rot. Bonds6

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

N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 4791502) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID4791502
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2csc(NC3CCCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C18H24N2O3S/c1-21-15-9-12(10-16(22-2)17(15)23-3)14-11-24-18(20-14)19-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,19,20)
InChIKeyOAFFJWURAXUAAK-UHFFFAOYSA-N
XLogP4.58
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 4791502) is N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1cc(-c2csc(NC3CCCCC3)n2)cc(OC)c1OC.
What is the InChIKey of N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is OAFFJWURAXUAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-21-15-9-12(10-16(22-2)17(15)23-3)14-11-24-18(20-14)19-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,19,20).
What are the key properties of N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 348.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4791502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).