N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C15H18N4O2S2 — CID 4876777

IUPACN-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccc(Nc2nnc(SC(C)C(=O)NC3CC3)s2)cc1
InChIInChI=1S/C15H18N4O2S2/c1-9(13(20)16-10-3-4-10)22-15-19-18-14(23-15)17-11-5-7-12(21-2)8-6-11/h5-10H,3-4H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyZEOAMSBVJNCWIS-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.05
Rot. Bonds7

About N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 4876777) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID4876777
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC NameN-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccc(Nc2nnc(SC(C)C(=O)NC3CC3)s2)cc1
InChIInChI=1S/C15H18N4O2S2/c1-9(13(20)16-10-3-4-10)22-15-19-18-14(23-15)17-11-5-7-12(21-2)8-6-11/h5-10H,3-4H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyZEOAMSBVJNCWIS-UHFFFAOYSA-N
XLogP3.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide 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 N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 4876777) is N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is COc1ccc(Nc2nnc(SC(C)C(=O)NC3CC3)s2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is ZEOAMSBVJNCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-9(13(20)16-10-3-4-10)22-15-19-18-14(23-15)17-11-5-7-12(21-2)8-6-11/h5-10H,3-4H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 350.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 4876777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).