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

C16H17N3O4S2 — CID 52995627

IUPACmethyl 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
SMILESCOC(=O)c1c(NC(=O)CC2SC3=NCCN3C2=O)sc2c1CCC2
InChIInChI=1S/C16H17N3O4S2/c1-23-15(22)12-8-3-2-4-9(8)24-13(12)18-11(20)7-10-14(21)19-6-5-17-16(19)25-10/h10H,2-7H2,1H3,(H,18,20)
InChIKeyPJFFPILGGXPKGL-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.67
Rot. Bonds4

About 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

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 (PubChem CID 52995627) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID52995627
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Namemethyl 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
SMILESCOC(=O)c1c(NC(=O)CC2SC3=NCCN3C2=O)sc2c1CCC2
InChIInChI=1S/C16H17N3O4S2/c1-23-15(22)12-8-3-2-4-9(8)24-13(12)18-11(20)7-10-14(21)19-6-5-17-16(19)25-10/h10H,2-7H2,1H3,(H,18,20)
InChIKeyPJFFPILGGXPKGL-UHFFFAOYSA-N
XLogP1.67
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_C(7)', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

methyl 4-[[2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetyl]amino]benzoate
CID 53264941
ethyl 2-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 11962894
methyl 2-[[2-(diethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 25021003
2-[[6-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-6-oxohexanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 4215488
methyl 2-[(3-methoxy-3-oxopropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 28637903
methyl 2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 22197541
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 17265547
methyl 2-[3-(ethylamino)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 62834800
methyl 2-[[2-(dimethylamino)acetyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 22200546
methyl 2-[(2-aminoacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 39177869
methyl 2-[[2-[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4090137
methyl 2-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19591035

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1c(NC(=O)CC2SC3=NCCN3C2=O)sc2c1CCC2.
What is the InChIKey of 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?
The InChIKey is PJFFPILGGXPKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-23-15(22)12-8-3-2-4-9(8)24-13(12)18-11(20)7-10-14(21)19-6-5-17-16(19)25-10/h10H,2-7H2,1H3,(H,18,20).
What are the key properties of 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?
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 has a molecular weight of 379.46 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 52995627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).