2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane

C19H25N3S3 — CID 143310691

IUPAC2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane
SMILESCC.Cc1c(C2=NCCSC2)[nH]c2c(NSC3=CCCS3)cccc12
InChIInChI=1S/C17H19N3S3.C2H6/c1-11-12-4-2-5-13(20-23-15-6-3-8-22-15)17(12)19-16(11)14-10-21-9-7-18-14;1-2/h2,4-6,19-20H,3,7-10H2,1H3;1-2H3
InChIKeyMESOGODPLZUPQB-UHFFFAOYSA-N
MW391.63 g/mol
LogP6.08
Rot. Bonds4

About 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane

2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane (PubChem CID 143310691) has the molecular formula C19H25N3S3 and a molecular weight of 391.63 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane
PubChem CID143310691
Molecular FormulaC19H25N3S3
Molecular Weight391.63 g/mol
Exact Mass391.12
IUPAC Name2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane
SMILESCC.Cc1c(C2=NCCSC2)[nH]c2c(NSC3=CCCS3)cccc12
InChIInChI=1S/C17H19N3S3.C2H6/c1-11-12-4-2-5-13(20-23-15-6-3-8-22-15)17(12)19-16(11)14-10-21-9-7-18-14;1-2/h2,4-6,19-20H,3,7-10H2,1H3;1-2H3
InChIKeyMESOGODPLZUPQB-UHFFFAOYSA-N
XLogP6.08
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.63
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane 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 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane?
The IUPAC name of 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane (CID 143310691) is 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane.
What is the SMILES notation for 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane?
The canonical SMILES for 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane is CC.Cc1c(C2=NCCSC2)[nH]c2c(NSC3=CCCS3)cccc12.
What is the InChIKey of 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane?
The InChIKey is MESOGODPLZUPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S3.C2H6/c1-11-12-4-2-5-13(20-23-15-6-3-8-22-15)17(12)19-16(11)14-10-21-9-7-18-14;1-2/h2,4-6,19-20H,3,7-10H2,1H3;1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane?
2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane has a molecular weight of 391.63 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-1,4-thiazin-5-yl)-N-(2,3-dihydrothiophen-5-ylsulfanyl)-3-methyl-1H-indol-7-amine;ethane is sourced from PubChem (CID 143310691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).