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

C14H14N4O2S — CID 19832303

IUPAC3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)s1
InChIInChI=1S/C14H14N4O2S/c1-7-17-18-13(21-7)16-11(19)8-4-5-9-10(6-8)15-12(20)14(9,2)3/h4-6H,1-3H3,(H,15,20)(H,16,18,19)
InChIKeyYPTHUQTUMVDKOQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.33
Rot. Bonds2

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

3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide (PubChem CID 19832303) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide
PubChem CID19832303
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)s1
InChIInChI=1S/C14H14N4O2S/c1-7-17-18-13(21-7)16-11(19)8-4-5-9-10(6-8)15-12(20)14(9,2)3/h4-6H,1-3H3,(H,15,20)(H,16,18,19)
InChIKeyYPTHUQTUMVDKOQ-UHFFFAOYSA-N
XLogP2.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide
CID 19832363
3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
N-(4-hydroxy-2-methylphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 19832367
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 14856608
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
N-(2,4-diaminophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 19832350
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 57261046
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide (CID 19832303) is 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide is Cc1nnc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)s1.
What is the InChIKey of 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide?
The InChIKey is YPTHUQTUMVDKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-7-17-18-13(21-7)16-11(19)8-4-5-9-10(6-8)15-12(20)14(9,2)3/h4-6H,1-3H3,(H,15,20)(H,16,18,19).
What are the key properties of 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide?
3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-indole-6-carboxamide is sourced from PubChem (CID 19832303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).