N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C14H23N5OS — CID 32807335

IUPACN-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)sc2n1
InChIInChI=1S/C14H23N5OS/c1-9-6-19-14(16-9)21-13(17-19)15-5-10(2)18-7-11(3)20-12(4)8-18/h6,10-12H,5,7-8H2,1-4H3,(H,15,17)/t10-,11+,12+/m0/s1
InChIKeyUIHCCCKHTLOENX-QJPTWQEYSA-N
MW309.44 g/mol
LogP2.01
Rot. Bonds4

About N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 32807335) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID32807335
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)sc2n1
InChIInChI=1S/C14H23N5OS/c1-9-6-19-14(16-9)21-13(17-19)15-5-10(2)18-7-11(3)20-12(4)8-18/h6,10-12H,5,7-8H2,1-4H3,(H,15,17)/t10-,11+,12+/m0/s1
InChIKeyUIHCCCKHTLOENX-QJPTWQEYSA-N
XLogP2.01
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 32807335) is N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)sc2n1.
What is the InChIKey of N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UIHCCCKHTLOENX-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-9-6-19-14(16-9)21-13(17-19)15-5-10(2)18-7-11(3)20-12(4)8-18/h6,10-12H,5,7-8H2,1-4H3,(H,15,17)/t10-,11+,12+/m0/s1.
What are the key properties of N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 309.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 32807335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).