N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C13H14N4OS — CID 107856285

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2Cc3ccccc3C2)s1
InChIInChI=1S/C13H14N4OS/c1-14-13-17-16-12(19-13)11(18)15-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyUIEQPBFICJWIPH-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.48
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107856285) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107856285
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2Cc3ccccc3C2)s1
InChIInChI=1S/C13H14N4OS/c1-14-13-17-16-12(19-13)11(18)15-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyUIEQPBFICJWIPH-UHFFFAOYSA-N
XLogP1.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617130
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624519
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
CID 167920137
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618602
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617107
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 107856148
CID 153368411
CID 153368411

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 107856285) is N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC2Cc3ccccc3C2)s1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UIEQPBFICJWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-14-13-17-16-12(19-13)11(18)15-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107856285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).