4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine

C16H19N3O2S2 — CID 17408245

IUPAC4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2ccc3c(c2)CC(C)N3S(C)(=O)=O)cs1
InChIInChI=1S/C16H19N3O2S2/c1-4-7-17-16-18-14(10-22-16)12-5-6-15-13(9-12)8-11(2)19(15)23(3,20)21/h4-6,9-11H,1,7-8H2,2-3H3,(H,17,18)
InChIKeyRDHYWRGFXVBOOV-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.12
Rot. Bonds5

About 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine

4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 17408245) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID17408245
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2ccc3c(c2)CC(C)N3S(C)(=O)=O)cs1
InChIInChI=1S/C16H19N3O2S2/c1-4-7-17-16-18-14(10-22-16)12-5-6-15-13(9-12)8-11(2)19(15)23(3,20)21/h4-6,9-11H,1,7-8H2,2-3H3,(H,17,18)
InChIKeyRDHYWRGFXVBOOV-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-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-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine (CID 17408245) is 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(-c2ccc3c(c2)CC(C)N3S(C)(=O)=O)cs1.
What is the InChIKey of 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is RDHYWRGFXVBOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-4-7-17-16-18-14(10-22-16)12-5-6-15-13(9-12)8-11(2)19(15)23(3,20)21/h4-6,9-11H,1,7-8H2,2-3H3,(H,17,18).
What are the key properties of 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine?
4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 349.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 17408245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).