N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C12H14N6S2 — CID 72847094

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCc3cn4c(n3)SCC4)sc12
InChIInChI=1S/C12H14N6S2/c1-7-9-10(17(2)16-7)15-11(20-9)13-5-8-6-18-3-4-19-12(18)14-8/h6H,3-5H2,1-2H3,(H,13,15)
InChIKeySEZJKRXLZZCRLE-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.25
Rot. Bonds3

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72847094) has the molecular formula C12H14N6S2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72847094
Molecular FormulaC12H14N6S2
Molecular Weight306.42 g/mol
Exact Mass306.07
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCc3cn4c(n3)SCC4)sc12
InChIInChI=1S/C12H14N6S2/c1-7-9-10(17(2)16-7)15-11(20-9)13-5-8-6-18-3-4-19-12(18)14-8/h6H,3-5H2,1-2H3,(H,13,15)
InChIKeySEZJKRXLZZCRLE-UHFFFAOYSA-N
XLogP2.25
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72847094) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCc3cn4c(n3)SCC4)sc12.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is SEZJKRXLZZCRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S2/c1-7-9-10(17(2)16-7)15-11(20-9)13-5-8-6-18-3-4-19-12(18)14-8/h6H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 306.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72847094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).