methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate

C16H19N3O4S2 — CID 53264928

IUPACmethyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)CC2SC3=NCCCN3C2=O)sc(C)c1C
InChIInChI=1S/C16H19N3O4S2/c1-8-9(2)24-13(12(8)15(22)23-3)18-11(20)7-10-14(21)19-6-4-5-17-16(19)25-10/h10H,4-7H2,1-3H3,(H,18,20)
InChIKeyCTXWYGTZRLYFMK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.18
Rot. Bonds4

About methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate

methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 53264928) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID53264928
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Namemethyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)CC2SC3=NCCCN3C2=O)sc(C)c1C
InChIInChI=1S/C16H19N3O4S2/c1-8-9(2)24-13(12(8)15(22)23-3)18-11(20)7-10-14(21)19-6-4-5-17-16(19)25-10/h10H,4-7H2,1-3H3,(H,18,20)
InChIKeyCTXWYGTZRLYFMK-UHFFFAOYSA-N
XLogP2.18
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 52995627
methyl 4-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]benzoate
CID 53264941
N-(3,5-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264916
methyl 2-[[2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetyl]amino]thiophene-3-carboxylate
CID 52900547
N-(3-chloro-2-methylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264908
N-[4-(diethylamino)phenyl]-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264964
methyl 2-[[2-(azocan-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2655336
ethyl 2-[[2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 1383514
ethyl 2-[[2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 3742488
N-(2,4-dimethoxyphenyl)-2-[(2R)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 51859796
methyl 2-[3-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 4244442
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 108808755

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate (CID 53264928) is methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)CC2SC3=NCCCN3C2=O)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is CTXWYGTZRLYFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-8-9(2)24-13(12(8)15(22)23-3)18-11(20)7-10-14(21)19-6-4-5-17-16(19)25-10/h10H,4-7H2,1-3H3,(H,18,20).
What are the key properties of methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 53264928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).