N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine

C18H18N2O2S — CID 2973371

IUPACN-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)c(C)s2)c(OC)c1
InChIInChI=1S/C18H18N2O2S/c1-12-17(13-7-5-4-6-8-13)20-18(23-12)19-15-10-9-14(21-2)11-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyINVJXCNVYQISCR-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.88
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2973371) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID2973371
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)c(C)s2)c(OC)c1
InChIInChI=1S/C18H18N2O2S/c1-12-17(13-7-5-4-6-8-13)20-18(23-12)19-15-10-9-14(21-2)11-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyINVJXCNVYQISCR-UHFFFAOYSA-N
XLogP4.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 2973371) is N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccccc3)c(C)s2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is INVJXCNVYQISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-17(13-7-5-4-6-8-13)20-18(23-12)19-15-10-9-14(21-2)11-16(15)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 326.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2973371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).