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

C19H17N3S — CID 3934902

IUPAC4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C19H17N3S/c1-2-6-14(7-3-1)10-11-20-19-22-18(13-23-19)16-12-21-17-9-5-4-8-15(16)17/h1-9,12-13,21H,10-11H2,(H,20,22)
InChIKeyLCYBPXMJDGRCBF-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.95
Rot. Bonds5

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

4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 3934902) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID3934902
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C19H17N3S/c1-2-6-14(7-3-1)10-11-20-19-22-18(13-23-19)16-12-21-17-9-5-4-8-15(16)17/h1-9,12-13,21H,10-11H2,(H,20,22)
InChIKeyLCYBPXMJDGRCBF-UHFFFAOYSA-N
XLogP4.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 3934902) is 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine is c1ccc(CCNc2nc(-c3c[nH]c4ccccc34)cs2)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is LCYBPXMJDGRCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-2-6-14(7-3-1)10-11-20-19-22-18(13-23-19)16-12-21-17-9-5-4-8-15(16)17/h1-9,12-13,21H,10-11H2,(H,20,22).
What are the key properties of 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3934902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).