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

C12H13N3O2S — CID 977320

IUPACN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(-c2ccccc2OC)s1
InChIInChI=1S/C12H13N3O2S/c1-3-10(16)13-12-15-14-11(18-12)8-6-4-5-7-9(8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyAXNDAKIIRGJWHI-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.56
Rot. Bonds4

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

N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 977320) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID977320
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(-c2ccccc2OC)s1
InChIInChI=1S/C12H13N3O2S/c1-3-10(16)13-12-15-14-11(18-12)8-6-4-5-7-9(8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyAXNDAKIIRGJWHI-UHFFFAOYSA-N
XLogP2.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021
N-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 82176796
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
4-bromo-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4562211
2-hydroxy-3-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 122094679
(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 7121115
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
N-[5-(3-amino-4,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 82176944
2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 5082553
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 977320) is N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(-c2ccccc2OC)s1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is AXNDAKIIRGJWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-10(16)13-12-15-14-11(18-12)8-6-4-5-7-9(8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 263.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 977320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).