N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide

C16H17N3O3S — CID 24647549

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OC
InChIInChI=1S/C16H17N3O3S/c1-3-8-22-12-7-6-11(9-13(12)21-2)14(20)17-16-19-18-15(23-16)10-4-5-10/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,17,19,20)
InChIKeyHVXHCYNRVAKHBL-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.24
Rot. Bonds7

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 24647549) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID24647549
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OC
InChIInChI=1S/C16H17N3O3S/c1-3-8-22-12-7-6-11(9-13(12)21-2)14(20)17-16-19-18-15(23-16)10-4-5-10/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,17,19,20)
InChIKeyHVXHCYNRVAKHBL-UHFFFAOYSA-N
XLogP3.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
CID 29411913
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 735968
2-(2-bromo-4,5-dimethoxyphenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18198012
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 167907390

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide (CID 24647549) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OC.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is HVXHCYNRVAKHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-3-8-22-12-7-6-11(9-13(12)21-2)14(20)17-16-19-18-15(23-16)10-4-5-10/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 331.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 24647549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).