ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C15H14N4O4S2 — CID 3239750

IUPACethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1
InChIInChI=1S/C15H14N4O4S2/c1-3-23-11(20)4-9-7-24-14(17-9)18-12(21)10-5-16-15-19(13(10)22)8(2)6-25-15/h5-7H,3-4H2,1-2H3,(H,17,18,21)
InChIKeyXPTPRBNEZOWHLJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.88
Rot. Bonds5

About ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 3239750) has the molecular formula C15H14N4O4S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID3239750
Molecular FormulaC15H14N4O4S2
Molecular Weight378.44 g/mol
Exact Mass378.05
IUPAC Nameethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1
InChIInChI=1S/C15H14N4O4S2/c1-3-23-11(20)4-9-7-24-14(17-9)18-12(21)10-5-16-15-19(13(10)22)8(2)6-25-15/h5-7H,3-4H2,1-2H3,(H,17,18,21)
InChIKeyXPTPRBNEZOWHLJ-UHFFFAOYSA-N
XLogP1.88
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Ethyl (2-{[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 6463655
ethyl (2-{[(2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 7266745
{2-[2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 135449487
Ethyl 2-[2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]thiazol-4-yl]acetate
CID 504130
Ethyl 2-[2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiazol-4-yl]acetate
CID 504132
Ethyl 2-[2-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]thiazol-4-yl]acetate
CID 504139
Ethyl 2-[2-[2-(diethylcarbamothioylsulfanyl)propanoylamino]thiazol-4-yl]acetate
CID 504141
3-methyl-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4074613
ethyl 2-(2-(2-(6-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamido)thiazol-4-yl)acetate
CID 16868173
ethyl 2-(2-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamido)thiazol-4-yl)acetate
CID 44044828
Ethyl 2-(2-(1-acetylazetidine-3-carboxamido)thiazol-4-yl)acetate
CID 71785335
Ethyl 2-{2-[2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetylamino]-1,3-thiazol-4-yl}acetate
CID 135426033

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 3239750) is ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cnc3scc(C)n3c2=O)n1.
What is the InChIKey of ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is XPTPRBNEZOWHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S2/c1-3-23-11(20)4-9-7-24-14(17-9)18-12(21)10-5-16-15-19(13(10)22)8(2)6-25-15/h5-7H,3-4H2,1-2H3,(H,17,18,21).
What are the key properties of ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 378.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3239750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).