N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide

C18H23N3O3S — CID 24899183

IUPACN-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)/N=c1\sc(C)c(C)n1CC1CCCO1
InChIInChI=1S/C18H23N3O3S/c1-4-23-17-15(8-5-9-19-17)16(22)20-18-21(12(2)13(3)25-18)11-14-7-6-10-24-14/h5,8-9,14H,4,6-7,10-11H2,1-3H3/b20-18-
InChIKeyWELGVCNTCNOVIR-ZZEZOPTASA-N
MW361.47 g/mol
LogP2.88
Rot. Bonds5

About N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide

N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide (PubChem CID 24899183) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide
PubChem CID24899183
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)/N=c1\sc(C)c(C)n1CC1CCCO1
InChIInChI=1S/C18H23N3O3S/c1-4-23-17-15(8-5-9-19-17)16(22)20-18-21(12(2)13(3)25-18)11-14-7-6-10-24-14/h5,8-9,14H,4,6-7,10-11H2,1-3H3/b20-18-
InChIKeyWELGVCNTCNOVIR-ZZEZOPTASA-N
XLogP2.88
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]quinoline-8-carboxamide
CID 68623217
2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide
CID 24898272
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
(3Z)-1-[(2R)-3,3-dimethylbutan-2-yl]-3-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea
CID 24898717
1-[(4aS,7aS)-1-(2-ethoxypyridine-3-carbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-3-(oxolan-2-yl)propan-1-one
CID 46956499
4-chloro-N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-methylbenzamide
CID 59865991
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
5-bromo-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 24899436
N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-2-[[(2S)-oxolan-2-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 68555446
(2-ethoxy-3-pyridinyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97192067
ethyl 6-(2-ethoxybenzoyl)imino-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 4580505
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide (CID 24899183) is N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)/N=c1\sc(C)c(C)n1CC1CCCO1.
What is the InChIKey of N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide?
The InChIKey is WELGVCNTCNOVIR-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-23-17-15(8-5-9-19-17)16(22)20-18-21(12(2)13(3)25-18)11-14-7-6-10-24-14/h5,8-9,14H,4,6-7,10-11H2,1-3H3/b20-18-.
What are the key properties of N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide?
N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 24899183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).