3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide

C14H18N2O2S — CID 101211398

IUPAC3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide
SMILESCC(C)NC(=O)c1cccc2c(=O)n(C(C)C)sc12
InChIInChI=1S/C14H18N2O2S/c1-8(2)15-13(17)10-6-5-7-11-12(10)19-16(9(3)4)14(11)18/h5-9H,1-4H3,(H,15,17)
InChIKeyKGEVTTGHCPSILV-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.78
Rot. Bonds3

About 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide

3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide (PubChem CID 101211398) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide.

Molecular Properties

Compound Name3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide
PubChem CID101211398
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide
SMILESCC(C)NC(=O)c1cccc2c(=O)n(C(C)C)sc12
InChIInChI=1S/C14H18N2O2S/c1-8(2)15-13(17)10-6-5-7-11-12(10)19-16(9(3)4)14(11)18/h5-9H,1-4H3,(H,15,17)
InChIKeyKGEVTTGHCPSILV-UHFFFAOYSA-N
XLogP2.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide?
The IUPAC name of 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide (CID 101211398) is 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide.
What is the SMILES notation for 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide?
The canonical SMILES for 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide is CC(C)NC(=O)c1cccc2c(=O)n(C(C)C)sc12.
What is the InChIKey of 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide?
The InChIKey is KGEVTTGHCPSILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8(2)15-13(17)10-6-5-7-11-12(10)19-16(9(3)4)14(11)18/h5-9H,1-4H3,(H,15,17).
What are the key properties of 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide?
3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide is sourced from PubChem (CID 101211398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).