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

C13H12N4OS — CID 29370625

IUPAC4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3nncs3)[nH]c2c1
InChIInChI=1S/C13H12N4OS/c1-7-3-8(2)9-5-11(15-10(9)4-7)12(18)16-13-17-14-6-19-13/h3-6,15H,1-2H3,(H,16,17,18)
InChIKeySYYIJFKWYOZOKT-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.89
Rot. Bonds2

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

4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 29370625) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID29370625
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3nncs3)[nH]c2c1
InChIInChI=1S/C13H12N4OS/c1-7-3-8(2)9-5-11(15-10(9)4-7)12(18)16-13-17-14-6-19-13/h3-6,15H,1-2H3,(H,16,17,18)
InChIKeySYYIJFKWYOZOKT-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 102704945
4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 56558142
3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoic acid
CID 63112729
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 111464297
4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
CID 124674116
N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134050967
N-(1-methoxypropan-2-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2823670
4,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 38432063
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 43045162
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134048899

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide (CID 29370625) is 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)Nc3nncs3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is SYYIJFKWYOZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-3-8(2)9-5-11(15-10(9)4-7)12(18)16-13-17-14-6-19-13/h3-6,15H,1-2H3,(H,16,17,18).
What are the key properties of 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 29370625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).