N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide

C17H16N2OS — CID 2096442

IUPACN-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C17H16N2OS/c1-11(2)13-5-3-4-6-14(13)19-17(20)12-7-8-15-16(9-12)21-10-18-15/h3-11H,1-2H3,(H,19,20)
InChIKeyVOUKFDMDXZRSNC-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.67
Rot. Bonds3

About N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide

N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2096442) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID2096442
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C17H16N2OS/c1-11(2)13-5-3-4-6-14(13)19-17(20)12-7-8-15-16(9-12)21-10-18-15/h3-11H,1-2H3,(H,19,20)
InChIKeyVOUKFDMDXZRSNC-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide (CID 2096442) is N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide is CC(C)c1ccccc1NC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is VOUKFDMDXZRSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11(2)13-5-3-4-6-14(13)19-17(20)12-7-8-15-16(9-12)21-10-18-15/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide?
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2096442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).