2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C14H17N3O2S — CID 2180719

IUPAC2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9(2)13-16-17-14(20-13)15-12(18)8-10-4-6-11(19-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,15,17,18)
InChIKeyQYAJDSZPZOJCQH-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.85
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2180719) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2180719
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9(2)13-16-17-14(20-13)15-12(18)8-10-4-6-11(19-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,15,17,18)
InChIKeyQYAJDSZPZOJCQH-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71765042
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1405517
N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
4-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 794237
N-[(4-methoxyphenyl)methyl]-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 1400473
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2078271
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 5912559
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2180719) is 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QYAJDSZPZOJCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(2)13-16-17-14(20-13)15-12(18)8-10-4-6-11(19-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,15,17,18).
What are the key properties of 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2180719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).