3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C23H27N3O4S — CID 1444947

IUPAC3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1cc(-c2nnc(N(C(=O)CCc3ccccc3)C(C)C)s2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O4S/c1-15(2)26(20(27)12-11-16-9-7-6-8-10-16)23-25-24-22(31-23)17-13-18(28-3)21(30-5)19(14-17)29-4/h6-10,13-15H,11-12H2,1-5H3
InChIKeyDUWNMWDCTMBVBH-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.61
Rot. Bonds9

About 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide

3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 1444947) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID1444947
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1cc(-c2nnc(N(C(=O)CCc3ccccc3)C(C)C)s2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O4S/c1-15(2)26(20(27)12-11-16-9-7-6-8-10-16)23-25-24-22(31-23)17-13-18(28-3)21(30-5)19(14-17)29-4/h6-10,13-15H,11-12H2,1-5H3
InChIKeyDUWNMWDCTMBVBH-UHFFFAOYSA-N
XLogP4.61
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide 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-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1451737
N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1451738
N-(2-methylpropyl)-3-phenyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 1451731
2-methyl-N-(2-methylpropyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1451728
4-phenyl-N-propyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3216733
3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide
CID 1444824
2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide
CID 1444776
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8820324
N-butyl-3-methyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3212745
3-(4-methoxyphenyl)-N-phenyl-N-propan-2-ylpropanamide
CID 87009451
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 3212720
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 1444947) is 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide is COc1cc(-c2nnc(N(C(=O)CCc3ccccc3)C(C)C)s2)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is DUWNMWDCTMBVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-15(2)26(20(27)12-11-16-9-7-6-8-10-16)23-25-24-22(31-23)17-13-18(28-3)21(30-5)19(14-17)29-4/h6-10,13-15H,11-12H2,1-5H3.
What are the key properties of 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 441.55 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propan-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 1444947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).