[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate

C17H13N3O3S — CID 10882328

IUPAC[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C17H13N3O3S/c21-14(11-12-5-2-1-3-6-12)23-13-7-4-8-18-15(13)16(22)20-17-19-9-10-24-17/h1-10H,11H2,(H,19,20,22)
InChIKeyNWWWVBHZVPTUKC-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.94
Rot. Bonds5

About [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate

[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate (PubChem CID 10882328) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate
PubChem CID10882328
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C17H13N3O3S/c21-14(11-12-5-2-1-3-6-12)23-13-7-4-8-18-15(13)16(22)20-17-19-9-10-24-17/h1-10H,11H2,(H,19,20,22)
InChIKeyNWWWVBHZVPTUKC-UHFFFAOYSA-N
XLogP2.94
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
3-Nitro-benzoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 11810764
2-Methoxy-benzoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 11824414
3-Benzyloxy-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 44391629
N-(4-methylthiazol-2-yl)-3-(pyridin-3-yloxy)benzamide
CID 51033561
5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 2497379
2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 9117172
2,2-Dimethyl-propionic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10892092
Cyclohexanecarboxylic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10903665
2-Iodo-benzoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10961376
3-Methyl-but-2-enoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10968681
3-Fluoro-benzoic acid 2-(thiazol-2-ylcarbamoyl)-pyridin-3-yl ester
CID 10980829

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate?
The IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate (CID 10882328) is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate.
What is the SMILES notation for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate?
The canonical SMILES for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate is O=C(Cc1ccccc1)Oc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate?
The InChIKey is NWWWVBHZVPTUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-14(11-12-5-2-1-3-6-12)23-13-7-4-8-18-15(13)16(22)20-17-19-9-10-24-17/h1-10H,11H2,(H,19,20,22).
What are the key properties of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate?
[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate has a molecular weight of 339.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-phenylacetate is sourced from PubChem (CID 10882328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).