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

C13H15N3O2S — CID 665132

IUPACN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1-c1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C13H15N3O2S/c1-8(2)11(17)14-13-16-15-12(19-13)9-6-4-5-7-10(9)18-3/h4-8H,1-3H3,(H,14,16,17)
InChIKeyHKHFJKDIJLFETH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.81
Rot. Bonds4

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

N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 665132) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID665132
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1-c1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C13H15N3O2S/c1-8(2)11(17)14-13-16-15-12(19-13)9-6-4-5-7-10(9)18-3/h4-8H,1-3H3,(H,14,16,17)
InChIKeyHKHFJKDIJLFETH-UHFFFAOYSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1382112
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
5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 748318
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
2-methylpropyl [(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 665124
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
N-ethyl-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 2174397
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
CID 1385839
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 5851140

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 665132) is N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is COc1ccccc1-c1nnc(NC(=O)C(C)C)s1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is HKHFJKDIJLFETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8(2)11(17)14-13-16-15-12(19-13)9-6-4-5-7-10(9)18-3/h4-8H,1-3H3,(H,14,16,17).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 2.81, 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]-2-methylpropanamide is sourced from PubChem (CID 665132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).