N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide

C16H15N3OS — CID 17274164

IUPACN-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1
InChIInChI=1S/C16H15N3OS/c1-10(2)11-3-6-13(7-4-11)17-16(20)12-5-8-14-15(9-12)19-21-18-14/h3-10H,1-2H3,(H,17,20)
InChIKeyQOCRBSKZDXHSRR-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.07
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide

N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 17274164) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID17274164
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1
InChIInChI=1S/C16H15N3OS/c1-10(2)11-3-6-13(7-4-11)17-16(20)12-5-8-14-15(9-12)19-21-18-14/h3-10H,1-2H3,(H,17,20)
InChIKeyQOCRBSKZDXHSRR-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 2037551
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
N-(3-chloro-4-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274467
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
CID 69268312
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
N-(4-propan-2-ylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847662
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122296069
N-(2,1,3-benzothiadiazol-5-yl)-4-bromobenzamide
CID 26823481
N-(3-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099097

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide (CID 17274164) is N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide is CC(C)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is QOCRBSKZDXHSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(2)11-3-6-13(7-4-11)17-16(20)12-5-8-14-15(9-12)19-21-18-14/h3-10H,1-2H3,(H,17,20).
What are the key properties of N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 297.38 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 N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 17274164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).