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

C18H18N2O2S — CID 82186056

IUPAC5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1cccc(Cc2sc(N)nc2-c2ccccc2)c1OC
InChIInChI=1S/C18H18N2O2S/c1-21-14-10-6-9-13(17(14)22-2)11-15-16(20-18(19)23-15)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKeyUCAJUMYOPOFDRQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.00
Rot. Bonds5

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

5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 82186056) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID82186056
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1cccc(Cc2sc(N)nc2-c2ccccc2)c1OC
InChIInChI=1S/C18H18N2O2S/c1-21-14-10-6-9-13(17(14)22-2)11-15-16(20-18(19)23-15)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKeyUCAJUMYOPOFDRQ-UHFFFAOYSA-N
XLogP4.00
TPSA57.37 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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
5-[(2-propan-2-yloxyphenyl)methyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 82186104
5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 82106454
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 18275825
[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82133850
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 39902669
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
5-(chloromethyl)-2-(2-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709903
2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
CID 10039695

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (CID 82186056) is 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is COc1cccc(Cc2sc(N)nc2-c2ccccc2)c1OC.
What is the InChIKey of 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is UCAJUMYOPOFDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-21-14-10-6-9-13(17(14)22-2)11-15-16(20-18(19)23-15)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H2,19,20).
What are the key properties of 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 326.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82186056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).