2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide

C18H18N4O2S2 — CID 20961874

IUPAC2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCc2cc(=O)n3nc(C4CC4)sc3n2)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-3-2-4-13(7-11)19-15(23)10-25-9-14-8-16(24)22-18(20-14)26-17(21-22)12-5-6-12/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,19,23)
InChIKeyPCVNMSZPQMZGRI-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.21
Rot. Bonds6

About 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide

2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 20961874) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID20961874
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCc2cc(=O)n3nc(C4CC4)sc3n2)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-3-2-4-13(7-11)19-15(23)10-25-9-14-8-16(24)22-18(20-14)26-17(21-22)12-5-6-12/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,19,23)
InChIKeyPCVNMSZPQMZGRI-UHFFFAOYSA-N
XLogP3.21
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide 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 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide (CID 20961874) is 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSCc2cc(=O)n3nc(C4CC4)sc3n2)c1.
What is the InChIKey of 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is PCVNMSZPQMZGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11-3-2-4-13(7-11)19-15(23)10-25-9-14-8-16(24)22-18(20-14)26-17(21-22)12-5-6-12/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,19,23).
What are the key properties of 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide?
2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 20961874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).