4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide

C16H20N4O3S — CID 91786651

IUPAC4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C16H20N4O3S/c1-2-5-11-15(24-20-19-11)16(21)18-12-10-22-9-7-13(12)23-14-6-3-4-8-17-14/h3-4,6,8,12-13H,2,5,7,9-10H2,1H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyZOMYAZYSGVHTGB-CHWSQXEVSA-N
MW348.43 g/mol
LogP1.85
Rot. Bonds6

About 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide

4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide (PubChem CID 91786651) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
PubChem CID91786651
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C16H20N4O3S/c1-2-5-11-15(24-20-19-11)16(21)18-12-10-22-9-7-13(12)23-14-6-3-4-8-17-14/h3-4,6,8,12-13H,2,5,7,9-10H2,1H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyZOMYAZYSGVHTGB-CHWSQXEVSA-N
XLogP1.85
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide (CID 91786651) is 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1.
What is the InChIKey of 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide?
The InChIKey is ZOMYAZYSGVHTGB-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-5-11-15(24-20-19-11)16(21)18-12-10-22-9-7-13(12)23-14-6-3-4-8-17-14/h3-4,6,8,12-13H,2,5,7,9-10H2,1H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide?
4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 91786651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).