ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C19H21N3O3S — CID 5006622

IUPACethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCCCC#Cc1cncc(C(=O)Nc2nc(CC(=O)OCC)cs2)c1
InChIInChI=1S/C19H21N3O3S/c1-3-5-6-7-8-14-9-15(12-20-11-14)18(24)22-19-21-16(13-26-19)10-17(23)25-4-2/h9,11-13H,3-6,10H2,1-2H3,(H,21,22,24)
InChIKeyQXEALWSWLHLYOG-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.44
Rot. Bonds7

About ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 5006622) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID5006622
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Nameethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCCCC#Cc1cncc(C(=O)Nc2nc(CC(=O)OCC)cs2)c1
InChIInChI=1S/C19H21N3O3S/c1-3-5-6-7-8-14-9-15(12-20-11-14)18(24)22-19-21-16(13-26-19)10-17(23)25-4-2/h9,11-13H,3-6,10H2,1-2H3,(H,21,22,24)
InChIKeyQXEALWSWLHLYOG-UHFFFAOYSA-N
XLogP3.44
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide
CID 3852765
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 5079660
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66335727

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 5006622) is ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCCCC#Cc1cncc(C(=O)Nc2nc(CC(=O)OCC)cs2)c1.
What is the InChIKey of ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QXEALWSWLHLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-5-6-7-8-14-9-15(12-20-11-14)18(24)22-19-21-16(13-26-19)10-17(23)25-4-2/h9,11-13H,3-6,10H2,1-2H3,(H,21,22,24).
What are the key properties of ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 371.46 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 5006622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).