2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide

C17H15N3OS — CID 112532788

IUPAC2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(-c3cnns3)cc2)c1
InChIInChI=1S/C17H15N3OS/c1-11-3-4-12(2)15(9-11)17(21)19-14-7-5-13(6-8-14)16-10-18-20-22-16/h3-10H,1-2H3,(H,19,21)
InChIKeyCRQCRDRCUXHVCC-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.07
Rot. Bonds3

About 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide

2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide (PubChem CID 112532788) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
PubChem CID112532788
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(-c3cnns3)cc2)c1
InChIInChI=1S/C17H15N3OS/c1-11-3-4-12(2)15(9-11)17(21)19-14-7-5-13(6-8-14)16-10-18-20-22-16/h3-10H,1-2H3,(H,19,21)
InChIKeyCRQCRDRCUXHVCC-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532789
4-methoxy-3-methyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532790
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide
CID 106910156
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
CID 122321830
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
CID 87915967

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide (CID 112532788) is 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide is Cc1ccc(C)c(C(=O)Nc2ccc(-c3cnns3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
The InChIKey is CRQCRDRCUXHVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-11-3-4-12(2)15(9-11)17(21)19-14-7-5-13(6-8-14)16-10-18-20-22-16/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide?
2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide has a molecular weight of 309.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 112532788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).