ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate

C14H15N3O3S2 — CID 6470349

IUPACethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CSc2ccccn2)nc1C
InChIInChI=1S/C14H15N3O3S2/c1-3-20-13(19)12-9(2)16-14(22-12)17-10(18)8-21-11-6-4-5-7-15-11/h4-7H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyGXSBKTNROHIKLO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.75
Rot. Bonds6

About ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 6470349) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID6470349
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Nameethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CSc2ccccn2)nc1C
InChIInChI=1S/C14H15N3O3S2/c1-3-20-13(19)12-9(2)16-14(22-12)17-10(18)8-21-11-6-4-5-7-15-11/h4-7H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyGXSBKTNROHIKLO-UHFFFAOYSA-N
XLogP2.75
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate (CID 6470349) is ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CSc2ccccn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is GXSBKTNROHIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-3-20-13(19)12-9(2)16-14(22-12)17-10(18)8-21-11-6-4-5-7-15-11/h4-7H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 337.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 6470349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).