5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C13H16N4S2 — CID 64610052

IUPAC5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC2Cc3ccccc3C2N)s1
InChIInChI=1S/C13H16N4S2/c1-17(2)12-15-16-13(19-12)18-10-7-8-5-3-4-6-9(8)11(10)14/h3-6,10-11H,7,14H2,1-2H3
InChIKeyVNLODDVODVFERL-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.32
Rot. Bonds3

About 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 64610052) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID64610052
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC2Cc3ccccc3C2N)s1
InChIInChI=1S/C13H16N4S2/c1-17(2)12-15-16-13(19-12)18-10-7-8-5-3-4-6-9(8)11(10)14/h3-6,10-11H,7,14H2,1-2H3
InChIKeyVNLODDVODVFERL-UHFFFAOYSA-N
XLogP2.32
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64628654
2-(3-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64628290
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 115479385
(2R,3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 176892201
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
CID 64648963
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 64612132
(1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol
CID 25362098
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 64610052) is 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SC2Cc3ccccc3C2N)s1.
What is the InChIKey of 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VNLODDVODVFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-17(2)12-15-16-13(19-12)18-10-7-8-5-3-4-6-9(8)11(10)14/h3-6,10-11H,7,14H2,1-2H3.
What are the key properties of 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64610052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).