(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride

C6H12Cl2N4OS — CID 47000658

IUPAC(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
SMILESCc1nn2cc(CN)nc2s1.Cl.Cl.O
InChIInChI=1S/C6H8N4S.2ClH.H2O/c1-4-9-10-3-5(2-7)8-6(10)11-4;;;/h3H,2,7H2,1H3;2*1H;1H2
InChIKeyCFKLNVKCSPIUHI-UHFFFAOYSA-N
MW259.16 g/mol
LogP0.58
Rot. Bonds1

About (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride

(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride (PubChem CID 47000658) has the molecular formula C6H12Cl2N4OS and a molecular weight of 259.16 g/mol. Its IUPAC name is (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride.

Molecular Properties

Compound Name(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
PubChem CID47000658
Molecular FormulaC6H12Cl2N4OS
Molecular Weight259.16 g/mol
Exact Mass258.01
IUPAC Name(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
SMILESCc1nn2cc(CN)nc2s1.Cl.Cl.O
InChIInChI=1S/C6H8N4S.2ClH.H2O/c1-4-9-10-3-5(2-7)8-6(10)11-4;;;/h3H,2,7H2,1H3;2*1H;1H2
InChIKeyCFKLNVKCSPIUHI-UHFFFAOYSA-N
XLogP0.58
TPSA87.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride?
The IUPAC name of (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride (CID 47000658) is (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride.
What is the SMILES notation for (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride?
The canonical SMILES for (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride is Cc1nn2cc(CN)nc2s1.Cl.Cl.O.
What is the InChIKey of (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride?
The InChIKey is CFKLNVKCSPIUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S.2ClH.H2O/c1-4-9-10-3-5(2-7)8-6(10)11-4;;;/h3H,2,7H2,1H3;2*1H;1H2.
What are the key properties of (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride?
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride has a molecular weight of 259.16 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride is sourced from PubChem (CID 47000658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).