methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C16H20N2O4S2 — CID 17468652

IUPACmethyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CSC3(C)CCC(=O)N23)sc(C)c1C
InChIInChI=1S/C16H20N2O4S2/c1-8-9(2)24-14(12(8)15(21)22-4)17-13(20)10-7-23-16(3)6-5-11(19)18(10)16/h10H,5-7H2,1-4H3,(H,17,20)
InChIKeyOCYARQPFKYNGKO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.54
Rot. Bonds3

About methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 17468652) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID17468652
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Namemethyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CSC3(C)CCC(=O)N23)sc(C)c1C
InChIInChI=1S/C16H20N2O4S2/c1-8-9(2)24-14(12(8)15(21)22-4)17-13(20)10-7-23-16(3)6-5-11(19)18(10)16/h10H,5-7H2,1-4H3,(H,17,20)
InChIKeyOCYARQPFKYNGKO-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 17468652) is methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)C2CSC3(C)CCC(=O)N23)sc(C)c1C.
What is the InChIKey of methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is OCYARQPFKYNGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-8-9(2)24-14(12(8)15(21)22-4)17-13(20)10-7-23-16(3)6-5-11(19)18(10)16/h10H,5-7H2,1-4H3,(H,17,20).
What are the key properties of methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 17468652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).