N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide

C14H11N3OS — CID 42545444

IUPACN-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C14H11N3OS/c1-9-5-7-10(8-6-9)15-14(18)11-3-2-4-12-13(11)17-19-16-12/h2-8H,1H3,(H,15,18)
InChIKeyFTJNZIMYMCZNEM-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.25
Rot. Bonds2

About N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide

N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide (PubChem CID 42545444) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide
PubChem CID42545444
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C14H11N3OS/c1-9-5-7-10(8-6-9)15-14(18)11-3-2-4-12-13(11)17-19-16-12/h2-8H,1H3,(H,15,18)
InChIKeyFTJNZIMYMCZNEM-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-tert-butyl-2H-pyrrol-5-yl)carbamoylamino]phenyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 143052383
N-[4-[[1-(4-amino-6-methyl-1,3,5-triazin-2-yl)benzimidazol-2-yl]amino]phenyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 46892598
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 3245497
N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
CID 711890
N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 42545419
N-oxo-2,1,3-benzothiadiazole-4-carboxamide
CID 134287124
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
1-(2,1,3-benzothiadiazol-4-yl)-2-bromoethanone
CID 53421986
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
2-ethyl-3-hydroxy-N-(4-methylphenyl)benzamide
CID 144929649
2-(2,1,3-benzothiadiazole-4-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid
CID 67052275
N-(4-methylphenyl)-9H-fluorene-4-carboxamide
CID 2802871

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide (CID 42545444) is N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide is Cc1ccc(NC(=O)c2cccc3nsnc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide?
The InChIKey is FTJNZIMYMCZNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-9-5-7-10(8-6-9)15-14(18)11-3-2-4-12-13(11)17-19-16-12/h2-8H,1H3,(H,15,18).
What are the key properties of N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide?
N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide is sourced from PubChem (CID 42545444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).