methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate

C17H15N3O3S2 — CID 23519757

IUPACmethyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1c1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C17H15N3O3S2/c1-23-16(22)11-4-2-7-20(11)17-18-10-6-9-25-15(10)13(19-17)14(21)12-5-3-8-24-12/h3,5-6,8-9,11H,2,4,7H2,1H3/t11-/m0/s1
InChIKeyDDCGDQWSFFKAOG-NSHDSACASA-N
MW373.46 g/mol
LogP3.13
Rot. Bonds4

About methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate

methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate (PubChem CID 23519757) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
PubChem CID23519757
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Namemethyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1c1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C17H15N3O3S2/c1-23-16(22)11-4-2-7-20(11)17-18-10-6-9-25-15(10)13(19-17)14(21)12-5-3-8-24-12/h3,5-6,8-9,11H,2,4,7H2,1H3/t11-/m0/s1
InChIKeyDDCGDQWSFFKAOG-NSHDSACASA-N
XLogP3.13
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate (CID 23519757) is methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1c1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is DDCGDQWSFFKAOG-NSHDSACASA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-23-16(22)11-4-2-7-20(11)17-18-10-6-9-25-15(10)13(19-17)14(21)12-5-3-8-24-12/h3,5-6,8-9,11H,2,4,7H2,1H3/t11-/m0/s1.
What are the key properties of methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 23519757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).