N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide

C14H17N3OS — CID 51585981

IUPACN-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(CCNC(=O)c2snnc2C)cc1C
InChIInChI=1S/C14H17N3OS/c1-9-4-5-12(8-10(9)2)6-7-15-14(18)13-11(3)16-17-19-13/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyUZBDHWBOEQHZCD-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide

N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 51585981) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID51585981
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(CCNC(=O)c2snnc2C)cc1C
InChIInChI=1S/C14H17N3OS/c1-9-4-5-12(8-10(9)2)6-7-15-14(18)13-11(3)16-17-19-13/h4-5,8H,6-7H2,1-3H3,(H,15,18)
InChIKeyUZBDHWBOEQHZCD-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 9182267
4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
CID 65199256
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiadiazole-5-carboxamide
CID 90537705
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 9404499
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
N-(3-bromobutyl)-4-methylthiadiazole-5-carboxamide
CID 114312469
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide (CID 51585981) is N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide is Cc1ccc(CCNC(=O)c2snnc2C)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is UZBDHWBOEQHZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-4-5-12(8-10(9)2)6-7-15-14(18)13-11(3)16-17-19-13/h4-5,8H,6-7H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 51585981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).