ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C17H18N4O3S2 — CID 3167475

IUPACethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nc(C)cc(C)c2C#N)n1
InChIInChI=1S/C17H18N4O3S2/c1-4-24-15(23)6-12-8-26-17(20-12)21-14(22)9-25-16-13(7-18)10(2)5-11(3)19-16/h5,8H,4,6,9H2,1-3H3,(H,20,21,22)
InChIKeyVOWHGILYPTVOCB-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.86
Rot. Bonds7

About ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 3167475) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID3167475
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Nameethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2nc(C)cc(C)c2C#N)n1
InChIInChI=1S/C17H18N4O3S2/c1-4-24-15(23)6-12-8-26-17(20-12)21-14(22)9-25-16-13(7-18)10(2)5-11(3)19-16/h5,8H,4,6,9H2,1-3H3,(H,20,21,22)
InChIKeyVOWHGILYPTVOCB-UHFFFAOYSA-N
XLogP2.86
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-(3,6,7-trimethylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 1153272
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 23746163
ethyl 2-[2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2382096
ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 6463655
ethyl 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2348497
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2150757
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 3-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 170908753
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1164426
ethyl 2-[2-[[2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 646149
ethyl 2-[2-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7748208

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 3167475) is ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CSc2nc(C)cc(C)c2C#N)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VOWHGILYPTVOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-4-24-15(23)6-12-8-26-17(20-12)21-14(22)9-25-16-13(7-18)10(2)5-11(3)19-16/h5,8H,4,6,9H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 390.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3167475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).