N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide

C13H14N4O2S2 — CID 100734697

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)s1
InChIInChI=1S/C13H14N4O2S2/c1-8-16-17-13(21-8)15-12(18)9-2-4-14-11(6-9)19-10-3-5-20-7-10/h2,4,6,10H,3,5,7H2,1H3,(H,15,17,18)/t10-/m1/s1
InChIKeyHTYAVLIBWVJVLR-SNVBAGLBSA-N
MW322.42 g/mol
LogP2.38
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 100734697) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID100734697
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)s1
InChIInChI=1S/C13H14N4O2S2/c1-8-16-17-13(21-8)15-12(18)9-2-4-14-11(6-9)19-10-3-5-20-7-10/h2,4,6,10H,3,5,7H2,1H3,(H,15,17,18)/t10-/m1/s1
InChIKeyHTYAVLIBWVJVLR-SNVBAGLBSA-N
XLogP2.38
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735077
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 100734902
N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815685
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815579
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 124760779
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91625388
morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone
CID 100733701

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 100734697) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide is Cc1nnc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is HTYAVLIBWVJVLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-8-16-17-13(21-8)15-12(18)9-2-4-14-11(6-9)19-10-3-5-20-7-10/h2,4,6,10H,3,5,7H2,1H3,(H,15,17,18)/t10-/m1/s1.
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 322.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 100734697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).