3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

C16H19N3O3S — CID 19221058

IUPAC3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nnc(C3CCCO3)s2)cc1
InChIInChI=1S/C16H19N3O3S/c1-21-12-7-4-11(5-8-12)6-9-14(20)17-16-19-18-15(23-16)13-3-2-10-22-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,19,20)
InChIKeyCRUPUCJYUYAQDS-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.97
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 19221058) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID19221058
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nnc(C3CCCO3)s2)cc1
InChIInChI=1S/C16H19N3O3S/c1-21-12-7-4-11(5-8-12)6-9-14(20)17-16-19-18-15(23-16)13-3-2-10-22-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,19,20)
InChIKeyCRUPUCJYUYAQDS-UHFFFAOYSA-N
XLogP2.97
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221296
3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide
CID 51718243
2-(4-ethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178444
2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178932
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 42655892
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
(2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 41145379

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (CID 19221058) is 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is COc1ccc(CCC(=O)Nc2nnc(C3CCCO3)s2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is CRUPUCJYUYAQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-12-7-4-11(5-8-12)6-9-14(20)17-16-19-18-15(23-16)13-3-2-10-22-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,19,20).
What are the key properties of 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 333.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 19221058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).