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

C17H18N2OS — CID 71680849

IUPAC2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)CS3)c2)c1
InChIInChI=1S/C17H18N2OS/c1-17(19-16(18)11-21-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)20-2/h3-10H,11H2,1-2H3,(H2,18,19)
InChIKeyHQOFZPLMGHLAJL-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.64
Rot. Bonds3

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

2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine (PubChem CID 71680849) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine
PubChem CID71680849
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)CS3)c2)c1
InChIInChI=1S/C17H18N2OS/c1-17(19-16(18)11-21-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)20-2/h3-10H,11H2,1-2H3,(H2,18,19)
InChIKeyHQOFZPLMGHLAJL-UHFFFAOYSA-N
XLogP3.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine
CID 16731239
1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875841
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421
4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine
CID 66828840
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
4-[3-amino-1-[3-(3-methoxyphenyl)phenyl]isoindol-1-yl]phenol
CID 143599411
4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine
CID 56948645
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine?
The IUPAC name of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine (CID 71680849) is 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine?
The canonical SMILES for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine is COc1cccc(-c2cccc(C3(C)N=C(N)CS3)c2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine?
The InChIKey is HQOFZPLMGHLAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-17(19-16(18)11-21-17)14-7-3-5-12(9-14)13-6-4-8-15(10-13)20-2/h3-10H,11H2,1-2H3,(H2,18,19).
What are the key properties of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine?
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine has a molecular weight of 298.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine is sourced from PubChem (CID 71680849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).