6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H20N4OS — CID 129004524

IUPAC6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NC[C@H]3CCO[C@@H]3C(C)C)sc2n1
InChIInChI=1S/C13H20N4OS/c1-8(2)11-10(4-5-18-11)6-14-12-16-17-7-9(3)15-13(17)19-12/h7-8,10-11H,4-6H2,1-3H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyNWVAJBISOJZAOL-GHMZBOCLSA-N
MW280.40 g/mol
LogP2.57
Rot. Bonds4

About 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 129004524) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID129004524
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NC[C@H]3CCO[C@@H]3C(C)C)sc2n1
InChIInChI=1S/C13H20N4OS/c1-8(2)11-10(4-5-18-11)6-14-12-16-17-7-9(3)15-13(17)19-12/h7-8,10-11H,4-6H2,1-3H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyNWVAJBISOJZAOL-GHMZBOCLSA-N
XLogP2.57
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 129004524) is 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NC[C@H]3CCO[C@@H]3C(C)C)sc2n1.
What is the InChIKey of 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is NWVAJBISOJZAOL-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)11-10(4-5-18-11)6-14-12-16-17-7-9(3)15-13(17)19-12/h7-8,10-11H,4-6H2,1-3H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 129004524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).