6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H16N6OS — CID 128972404

IUPAC6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N[C@H]3CCO[C@@H]3c3nccn3C)sc2n1
InChIInChI=1S/C13H16N6OS/c1-8-7-19-13(15-8)21-12(17-19)16-9-3-6-20-10(9)11-14-4-5-18(11)2/h4-5,7,9-10H,3,6H2,1-2H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyNCJBFBDXHPGJHT-UWVGGRQHSA-N
MW304.38 g/mol
LogP1.77
Rot. Bonds3

About 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 128972404) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID128972404
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N[C@H]3CCO[C@@H]3c3nccn3C)sc2n1
InChIInChI=1S/C13H16N6OS/c1-8-7-19-13(15-8)21-12(17-19)16-9-3-6-20-10(9)11-14-4-5-18(11)2/h4-5,7,9-10H,3,6H2,1-2H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyNCJBFBDXHPGJHT-UWVGGRQHSA-N
XLogP1.77
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
CID 128977675
4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
CID 167925059
2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 97073350
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976445
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 154794373
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]oxan-3-amine
CID 154738050
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 128972404) is 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(N[C@H]3CCO[C@@H]3c3nccn3C)sc2n1.
What is the InChIKey of 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is NCJBFBDXHPGJHT-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-8-7-19-13(15-8)21-12(17-19)16-9-3-6-20-10(9)11-14-4-5-18(11)2/h4-5,7,9-10H,3,6H2,1-2H3,(H,16,17)/t9-,10-/m0/s1.
What are the key properties of 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 304.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 128972404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).