methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate

C14H14N2O3S3 — CID 9084225

IUPACmethyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)CCS1
InChIInChI=1S/C14H14N2O3S3/c1-19-14(18)11-6-16(3-5-21-11)13(17)10-8-22-12(15-10)9-2-4-20-7-9/h2,4,7-8,11H,3,5-6H2,1H3/t11-/m1/s1
InChIKeyMJYQDIYBKVPNJP-LLVKDONJSA-N
MW354.48 g/mol
LogP2.60
Rot. Bonds3

About methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate

methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate (PubChem CID 9084225) has the molecular formula C14H14N2O3S3 and a molecular weight of 354.48 g/mol. Its IUPAC name is methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate
PubChem CID9084225
Molecular FormulaC14H14N2O3S3
Molecular Weight354.48 g/mol
Exact Mass354.02
IUPAC Namemethyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)CCS1
InChIInChI=1S/C14H14N2O3S3/c1-19-14(18)11-6-16(3-5-21-11)13(17)10-8-22-12(15-10)9-2-4-20-7-9/h2,4,7-8,11H,3,5-6H2,1H3/t11-/m1/s1
InChIKeyMJYQDIYBKVPNJP-LLVKDONJSA-N
XLogP2.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-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 (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate?
The IUPAC name of methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate (CID 9084225) is methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate?
The canonical SMILES for methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate is COC(=O)[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)CCS1.
What is the InChIKey of methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate?
The InChIKey is MJYQDIYBKVPNJP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N2O3S3/c1-19-14(18)11-6-16(3-5-21-11)13(17)10-8-22-12(15-10)9-2-4-20-7-9/h2,4,7-8,11H,3,5-6H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate?
methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate has a molecular weight of 354.48 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)thiomorpholine-2-carboxylate is sourced from PubChem (CID 9084225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).