1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone

C14H14N4OS — CID 718261

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone
SMILESCc1ccc2c(C(=O)CNc3nncs3)c(C)[nH]c2c1
InChIInChI=1S/C14H14N4OS/c1-8-3-4-10-11(5-8)17-9(2)13(10)12(19)6-15-14-18-16-7-20-14/h3-5,7,17H,6H2,1-2H3,(H,15,18)
InChIKeySSUNPIRBVMIHAX-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.93
Rot. Bonds4

About 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone

1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone (PubChem CID 718261) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone
PubChem CID718261
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone
SMILESCc1ccc2c(C(=O)CNc3nncs3)c(C)[nH]c2c1
InChIInChI=1S/C14H14N4OS/c1-8-3-4-10-11(5-8)17-9(2)13(10)12(19)6-15-14-18-16-7-20-14/h3-5,7,17H,6H2,1-2H3,(H,15,18)
InChIKeySSUNPIRBVMIHAX-UHFFFAOYSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 940026
1-(1H-indol-3-yl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2449024
1-(1H-indol-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2501618
2-((5-(Butylamino)-1,3,4-thiadiazol-2-yl)thio)-1-(1H-indol-3-yl)ethan-1-one
CID 2531393
1-(2-methyl-1H-indol-3-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4819171
N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 509751
N-(5-{[2-(1H-Indol-3-yl)ethyl]amino}-1,3,4-thiadiazol-2-yl)-2,4,6-triisopropylbenzamide
CID 509909
1-(1H-indol-3-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2078186
N-methyl-N-(2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)-1H-indole-3-carboxamide
CID 49669714
1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
CID 718258
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 913212
1-(2-methyl-1H-indol-3-yl)-2-((4-methylthiazol-2-yl)amino)ethanone
CID 914378

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone (CID 718261) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone is Cc1ccc2c(C(=O)CNc3nncs3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone?
The InChIKey is SSUNPIRBVMIHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8-3-4-10-11(5-8)17-9(2)13(10)12(19)6-15-14-18-16-7-20-14/h3-5,7,17H,6H2,1-2H3,(H,15,18).
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone has a molecular weight of 286.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone is sourced from PubChem (CID 718261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).