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

C14H17N3O2S — CID 2078271

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
SMILESCCc1nnc(NC(=O)CCc2ccccc2OC)s1
InChIInChI=1S/C14H17N3O2S/c1-3-13-16-17-14(20-13)15-12(18)9-8-10-6-4-5-7-11(10)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyHXHBASIGYMBQDY-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.68
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 2078271) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
PubChem CID2078271
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide
SMILESCCc1nnc(NC(=O)CCc2ccccc2OC)s1
InChIInChI=1S/C14H17N3O2S/c1-3-13-16-17-14(20-13)15-12(18)9-8-10-6-4-5-7-11(10)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyHXHBASIGYMBQDY-UHFFFAOYSA-N
XLogP2.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 5912559
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 2165971
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396
2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982534
2-(3-methoxyphenyl)-N-[5-[4-[5-[[2-(3-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89596863
2-(4-methoxyphenyl)-N-[5-[4-[5-[[2-(4-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89639619
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 5851140
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 5904691
3-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1246746

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide (CID 2078271) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide is CCc1nnc(NC(=O)CCc2ccccc2OC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is HXHBASIGYMBQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-13-16-17-14(20-13)15-12(18)9-8-10-6-4-5-7-11(10)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2078271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).