4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine

C18H15N3OS — CID 2085121

IUPAC4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C18H15N3OS/c1-22-13-8-6-12(7-9-13)20-18-21-17(11-23-18)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3,(H,20,21)
InChIKeyYHANWJGMIFUQFP-UHFFFAOYSA-N
MW321.41 g/mol
LogP5.04
Rot. Bonds4

About 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine

4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 2085121) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID2085121
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C18H15N3OS/c1-22-13-8-6-12(7-9-13)20-18-21-17(11-23-18)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3,(H,20,21)
InChIKeyYHANWJGMIFUQFP-UHFFFAOYSA-N
XLogP5.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 2085121) is 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is YHANWJGMIFUQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-22-13-8-6-12(7-9-13)20-18-21-17(11-23-18)15-10-19-16-5-3-2-4-14(15)16/h2-11,19H,1H3,(H,20,21).
What are the key properties of 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 321.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2085121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).