N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide

C14H18N6O2S — CID 124844510

IUPACN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide
SMILESO=C(CN1CCc2nc[nH]c2C1)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C14H18N6O2S/c21-12(7-20-4-3-9-10(6-20)16-8-15-9)17-14-19-18-13(23-14)11-2-1-5-22-11/h8,11H,1-7H2,(H,15,16)(H,17,19,21)/t11-/m1/s1
InChIKeyGKVFJJUOZVSTEY-LLVKDONJSA-N
MW334.41 g/mol
LogP1.11
Rot. Bonds4

About N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide

N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide (PubChem CID 124844510) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide
PubChem CID124844510
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide
SMILESO=C(CN1CCc2nc[nH]c2C1)Nc1nnc([C@H]2CCCO2)s1
InChIInChI=1S/C14H18N6O2S/c21-12(7-20-4-3-9-10(6-20)16-8-15-9)17-14-19-18-13(23-14)11-2-1-5-22-11/h8,11H,1-7H2,(H,15,16)(H,17,19,21)/t11-/m1/s1
InChIKeyGKVFJJUOZVSTEY-LLVKDONJSA-N
XLogP1.11
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 50959780
1-[2-oxo-2-[[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 95125307
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 124842295
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749945
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749946
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56761808
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51720272
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide (CID 124844510) is N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide is O=C(CN1CCc2nc[nH]c2C1)Nc1nnc([C@H]2CCCO2)s1.
What is the InChIKey of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide?
The InChIKey is GKVFJJUOZVSTEY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N6O2S/c21-12(7-20-4-3-9-10(6-20)16-8-15-9)17-14-19-18-13(23-14)11-2-1-5-22-11/h8,11H,1-7H2,(H,15,16)(H,17,19,21)/t11-/m1/s1.
What are the key properties of N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide?
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide has a molecular weight of 334.41 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 124844510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).