N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C14H14N4S — CID 47140342

IUPACN-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(Nc3ccc4c(c3)CCC4)sc2n1
InChIInChI=1S/C14H14N4S/c1-9-8-18-14(15-9)19-13(17-18)16-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,16,17)
InChIKeyWXYWQDMXFLXEDP-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.33
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 47140342) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID47140342
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(Nc3ccc4c(c3)CCC4)sc2n1
InChIInChI=1S/C14H14N4S/c1-9-8-18-14(15-9)19-13(17-18)16-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,16,17)
InChIKeyWXYWQDMXFLXEDP-UHFFFAOYSA-N
XLogP3.33
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 167862565
ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate
CID 123173088
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-amine
CID 83152566
N-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-amine
CID 106557683
N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80927045
N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167907766
5-amino-N-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazole-4-carboxamide
CID 166960660
2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 17419773
4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
CID 60725987
2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
CID 83265215
3,5,6-trichloro-N-(2,3-dihydro-1H-inden-5-yl)pyridin-2-amine
CID 102750004
propyl 4-(2,3-dihydro-1H-inden-5-ylamino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836649

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 47140342) is N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(Nc3ccc4c(c3)CCC4)sc2n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is WXYWQDMXFLXEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-8-18-14(15-9)19-13(17-18)16-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 47140342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).