3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

C16H21N3O3S — CID 18093778

IUPAC3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2nnc(C(C)C)s2)c1OC
InChIInChI=1S/C16H21N3O3S/c1-10(2)15-18-19-16(23-15)17-13(20)9-8-11-6-5-7-12(21-3)14(11)22-4/h5-7,10H,8-9H2,1-4H3,(H,17,19,20)
InChIKeyKNAUHTHCKGVPAZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.25
Rot. Bonds7

About 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 18093778) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID18093778
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2nnc(C(C)C)s2)c1OC
InChIInChI=1S/C16H21N3O3S/c1-10(2)15-18-19-16(23-15)17-13(20)9-8-11-6-5-7-12(21-3)14(11)22-4/h5-7,10H,8-9H2,1-4H3,(H,17,19,20)
InChIKeyKNAUHTHCKGVPAZ-UHFFFAOYSA-N
XLogP3.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18191005
ethyl 2-[3-(2,3-dimethoxyphenyl)propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 18275825
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2641026
4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1402982
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 82176363
2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18093734
2-(2-propan-2-ylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178841
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-(3-bromophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1416510
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 18093778) is 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is COc1cccc(CCC(=O)Nc2nnc(C(C)C)s2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is KNAUHTHCKGVPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10(2)15-18-19-16(23-15)17-13(20)9-8-11-6-5-7-12(21-3)14(11)22-4/h5-7,10H,8-9H2,1-4H3,(H,17,19,20).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 18093778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).