N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide

C17H19N3O2S — CID 110764430

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)sc1C
InChIInChI=1S/C17H19N3O2S/c1-9-10(2)23-16(18-9)19-14(21)11-6-7-13-12(8-11)17(3,4)15(22)20(13)5/h6-8H,1-5H3,(H,18,19,21)
InChIKeyRXYQDJSCSDBKQS-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.27
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide (PubChem CID 110764430) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
PubChem CID110764430
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)sc1C
InChIInChI=1S/C17H19N3O2S/c1-9-10(2)23-16(18-9)19-14(21)11-6-7-13-12(8-11)17(3,4)15(22)20(13)5/h6-8H,1-5H3,(H,18,19,21)
InChIKeyRXYQDJSCSDBKQS-UHFFFAOYSA-N
XLogP3.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide 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 N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide (CID 110764430) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide is Cc1nc(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
The InChIKey is RXYQDJSCSDBKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-9-10(2)23-16(18-9)19-14(21)11-6-7-13-12(8-11)17(3,4)15(22)20(13)5/h6-8H,1-5H3,(H,18,19,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide is sourced from PubChem (CID 110764430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).