3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

C15H20N4O4S2 — CID 17476799

IUPAC3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCCCOC(=O)c1c(C)nsc1NC
InChIInChI=1S/C15H20N4O4S2/c1-8-10(12(16-3)24-18-8)14(20)22-6-5-7-23-15(21)11-9(2)19-25-13(11)17-4/h16-17H,5-7H2,1-4H3
InChIKeyQNAOMCGWEDBOLU-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.70
Rot. Bonds8

About 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (PubChem CID 17476799) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
PubChem CID17476799
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCCCOC(=O)c1c(C)nsc1NC
InChIInChI=1S/C15H20N4O4S2/c1-8-10(12(16-3)24-18-8)14(20)22-6-5-7-23-15(21)11-9(2)19-25-13(11)17-4/h16-17H,5-7H2,1-4H3
InChIKeyQNAOMCGWEDBOLU-UHFFFAOYSA-N
XLogP2.70
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (CID 17476799) is 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is CNc1snc(C)c1C(=O)OCCCOC(=O)c1c(C)nsc1NC.
What is the InChIKey of 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is QNAOMCGWEDBOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-8-10(12(16-3)24-18-8)14(20)22-6-5-7-23-15(21)11-9(2)19-25-13(11)17-4/h16-17H,5-7H2,1-4H3.
What are the key properties of 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]oxypropyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 17476799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).