6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate

C13H9N3O5S2-2 — CID 7195933

IUPAC6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate
SMILESO=C([O-])Cc1csc(NC(=O)CSc2cccc(C(=O)[O-])n2)n1
InChIInChI=1S/C13H11N3O5S2/c17-9(16-13-14-7(5-23-13)4-11(18)19)6-22-10-3-1-2-8(15-10)12(20)21/h1-3,5H,4,6H2,(H,18,19)(H,20,21)(H,14,16,17)/p-2
InChIKeyUNXKWVOZOGZUGD-UHFFFAOYSA-L
MW351.37 g/mol
LogP-1.08
Rot. Bonds7

About 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate

6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate (PubChem CID 7195933) has the molecular formula C13H9N3O5S2-2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate.

Molecular Properties

Compound Name6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate
PubChem CID7195933
Molecular FormulaC13H9N3O5S2-2
Molecular Weight351.37 g/mol
Exact Mass351.00
IUPAC Name6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate
SMILESO=C([O-])Cc1csc(NC(=O)CSc2cccc(C(=O)[O-])n2)n1
InChIInChI=1S/C13H11N3O5S2/c17-9(16-13-14-7(5-23-13)4-11(18)19)6-22-10-3-1-2-8(15-10)12(20)21/h1-3,5H,4,6H2,(H,18,19)(H,20,21)(H,14,16,17)/p-2
InChIKeyUNXKWVOZOGZUGD-UHFFFAOYSA-L
XLogP-1.08
TPSA135.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate with MolForge

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Related Compounds

2-[2-[(2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 6932823
2-[2-[[(E)-pent-3-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 7021215
2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 1373327
ethyl 2-[2-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7672383
methyl 2-[2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 25348851
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetamide
CID 22177009
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7361431
2-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 17436848
N-(4-phenyl-1,3-thiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 1426864
methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 35163203
2-[2-[[2-[(2-chlorobenzoyl)-propan-2-ylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7231958
ethyl 2-[2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2382096

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate?
The IUPAC name of 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate (CID 7195933) is 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate.
What is the SMILES notation for 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate?
The canonical SMILES for 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate is O=C([O-])Cc1csc(NC(=O)CSc2cccc(C(=O)[O-])n2)n1.
What is the InChIKey of 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate?
The InChIKey is UNXKWVOZOGZUGD-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H11N3O5S2/c17-9(16-13-14-7(5-23-13)4-11(18)19)6-22-10-3-1-2-8(15-10)12(20)21/h1-3,5H,4,6H2,(H,18,19)(H,20,21)(H,14,16,17)/p-2.
What are the key properties of 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate?
6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate has a molecular weight of 351.37 g/mol, XLogP of -1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-(carboxylatomethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-2-carboxylate is sourced from PubChem (CID 7195933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).