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

C14H15N3O2S2 — CID 100735077

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESCc1cnc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)s1
InChIInChI=1S/C14H15N3O2S2/c1-9-7-16-14(21-9)17-13(18)10-2-4-15-12(6-10)19-11-3-5-20-8-11/h2,4,6-7,11H,3,5,8H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyIIXZVBNNRWXNSI-NSHDSACASA-N
MW321.43 g/mol
LogP2.98
Rot. Bonds4

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

N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 100735077) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID100735077
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESCc1cnc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)s1
InChIInChI=1S/C14H15N3O2S2/c1-9-7-16-14(21-9)17-13(18)10-2-4-15-12(6-10)19-11-3-5-20-8-11/h2,4,6-7,11H,3,5,8H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyIIXZVBNNRWXNSI-NSHDSACASA-N
XLogP2.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734697
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-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclobutyloxypyridine-4-carboxamide
CID 71906930
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735623
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 100735077) is N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is Cc1cnc(NC(=O)c2ccnc(O[C@H]3CCSC3)c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is IIXZVBNNRWXNSI-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-9-7-16-14(21-9)17-13(18)10-2-4-15-12(6-10)19-11-3-5-20-8-11/h2,4,6-7,11H,3,5,8H2,1H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 100735077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).