6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide

C17H17N3O3S — CID 97327986

IUPAC6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(=O)n(Cc2csc([C@@H]3CCCO3)n2)c1
InChIInChI=1S/C17H17N3O3S/c1-2-7-18-16(22)12-5-6-15(21)20(9-12)10-13-11-24-17(19-13)14-4-3-8-23-14/h1,5-6,9,11,14H,3-4,7-8,10H2,(H,18,22)/t14-/m0/s1
InChIKeyAARNEMCARSKMEG-AWEZNQCLSA-N
MW343.41 g/mol
LogP1.57
Rot. Bonds5

About 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide

6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 97327986) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID97327986
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(=O)n(Cc2csc([C@@H]3CCCO3)n2)c1
InChIInChI=1S/C17H17N3O3S/c1-2-7-18-16(22)12-5-6-15(21)20(9-12)10-13-11-24-17(19-13)14-4-3-8-23-14/h1,5-6,9,11,14H,3-4,7-8,10H2,(H,18,22)/t14-/m0/s1
InChIKeyAARNEMCARSKMEG-AWEZNQCLSA-N
XLogP1.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methoxy]benzamide
CID 97245755
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
1-(3-cyanopropyl)-6-oxo-N-prop-2-ynylpyridine-3-carboxamide
CID 154750773
6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 167829329
2-[4-[[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698833
(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol
CID 99635029
N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 65328319
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
1-[(2-fluoro-4-nitrophenyl)methyl]-6-oxo-N-prop-2-ynylpyridine-3-carboxamide
CID 75423991
4-methyl-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 120522343
5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 129342724

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide (CID 97327986) is 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(=O)n(Cc2csc([C@@H]3CCCO3)n2)c1.
What is the InChIKey of 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is AARNEMCARSKMEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-7-18-16(22)12-5-6-15(21)20(9-12)10-13-11-24-17(19-13)14-4-3-8-23-14/h1,5-6,9,11,14H,3-4,7-8,10H2,(H,18,22)/t14-/m0/s1.
What are the key properties of 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide?
6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 97327986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).