3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

C18H16ClN3O2S — CID 55510042

IUPAC3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-24-15-9-7-12(11-14(15)19)8-10-16(23)20-18-22-21-17(25-18)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,22,23)
InChIKeyXIRYQHOABMHOOY-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.44
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 55510042) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID55510042
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-24-15-9-7-12(11-14(15)19)8-10-16(23)20-18-22-21-17(25-18)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,22,23)
InChIKeyXIRYQHOABMHOOY-UHFFFAOYSA-N
XLogP4.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 3293162
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2359813
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
2-(4-bromo-2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 92546675
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-phenylsulfanylacetyl)amino]propanamide
CID 3487905
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3,4-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 3950077
3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-chloro-4-methoxyphenyl)propanamide
CID 56810885
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 100502315
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100688020

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 55510042) is 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is COc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is XIRYQHOABMHOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-24-15-9-7-12(11-14(15)19)8-10-16(23)20-18-22-21-17(25-18)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,22,23).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 373.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 55510042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).