6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide

C15H17N3O2S — CID 22730906

IUPAC6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide
SMILESCc1cnc(NC(=O)c2c[nH]c3c2C(=O)CC(C)(C)C3)s1
InChIInChI=1S/C15H17N3O2S/c1-8-6-17-14(21-8)18-13(20)9-7-16-10-4-15(2,3)5-11(19)12(9)10/h6-7,16H,4-5H2,1-3H3,(H,17,18,20)
InChIKeyYLMRGJXSVFKCAN-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.19
Rot. Bonds2

About 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide

6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide (PubChem CID 22730906) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide
PubChem CID22730906
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide
SMILESCc1cnc(NC(=O)c2c[nH]c3c2C(=O)CC(C)(C)C3)s1
InChIInChI=1S/C15H17N3O2S/c1-8-6-17-14(21-8)18-13(20)9-7-16-10-4-15(2,3)5-11(19)12(9)10/h6-7,16H,4-5H2,1-3H3,(H,17,18,20)
InChIKeyYLMRGJXSVFKCAN-UHFFFAOYSA-N
XLogP3.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide?
The IUPAC name of 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide (CID 22730906) is 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide is Cc1cnc(NC(=O)c2c[nH]c3c2C(=O)CC(C)(C)C3)s1.
What is the InChIKey of 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide?
The InChIKey is YLMRGJXSVFKCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-8-6-17-14(21-8)18-13(20)9-7-16-10-4-15(2,3)5-11(19)12(9)10/h6-7,16H,4-5H2,1-3H3,(H,17,18,20).
What are the key properties of 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide?
6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-5,7-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 22730906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).