4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine

C19H17N3OS — CID 2028696

IUPAC4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2c(-c3csc(N)n3)cn(Cc3ccccc3)c2c1
InChIInChI=1S/C19H17N3OS/c1-23-14-7-8-15-16(17-12-24-19(20)21-17)11-22(18(15)9-14)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H2,20,21)
InChIKeyXTIPDVQOKYEVRZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.40
Rot. Bonds4

About 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine

4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine (PubChem CID 2028696) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine
PubChem CID2028696
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2c(-c3csc(N)n3)cn(Cc3ccccc3)c2c1
InChIInChI=1S/C19H17N3OS/c1-23-14-7-8-15-16(17-12-24-19(20)21-17)11-22(18(15)9-14)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H2,20,21)
InChIKeyXTIPDVQOKYEVRZ-UHFFFAOYSA-N
XLogP4.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 53245544
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
4-[3-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazol-2-amine
CID 86692031
2-[6-methoxy-1-(pyrimidin-5-ylmethyl)indol-3-yl]sulfanylaniline
CID 89066880
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
4-(5-methoxy-2-methyl-1-prop-2-ynylindol-3-yl)-2-(6-methoxy-1-prop-2-ynylindol-3-yl)-1,3-thiazole
CID 176955721
5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline
CID 2135826
4-(1-benzyl-5-bromoindol-3-yl)-6-methylpyrimidin-2-amine
CID 42625004
1-benzyl-6-ethoxy-3-methylindole
CID 15128551
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
CID 4789569

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine (CID 2028696) is 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine is COc1ccc2c(-c3csc(N)n3)cn(Cc3ccccc3)c2c1.
What is the InChIKey of 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is XTIPDVQOKYEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-23-14-7-8-15-16(17-12-24-19(20)21-17)11-22(18(15)9-14)10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H2,20,21).
What are the key properties of 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine?
4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 335.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2028696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).