N-propan-2-yl-1,3-benzothiazole-2-carboxamide

C11H12N2OS — CID 972324

IUPACN-propan-2-yl-1,3-benzothiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C11H12N2OS/c1-7(2)12-10(14)11-13-8-5-3-4-6-9(8)15-11/h3-7H,1-2H3,(H,12,14)
InChIKeyNCLPSJQUAFVAIZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.43
Rot. Bonds2

About N-propan-2-yl-1,3-benzothiazole-2-carboxamide

N-propan-2-yl-1,3-benzothiazole-2-carboxamide (PubChem CID 972324) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-propan-2-yl-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,3-benzothiazole-2-carboxamide
PubChem CID972324
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-propan-2-yl-1,3-benzothiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C11H12N2OS/c1-7(2)12-10(14)11-13-8-5-3-4-6-9(8)15-11/h3-7H,1-2H3,(H,12,14)
InChIKeyNCLPSJQUAFVAIZ-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-propan-2-yl-1,3-benzothiazole-2-carboxamide (CID 972324) is N-propan-2-yl-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-propan-2-yl-1,3-benzothiazole-2-carboxamide is CC(C)NC(=O)c1nc2ccccc2s1.
What is the InChIKey of N-propan-2-yl-1,3-benzothiazole-2-carboxamide?
The InChIKey is NCLPSJQUAFVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7(2)12-10(14)11-13-8-5-3-4-6-9(8)15-11/h3-7H,1-2H3,(H,12,14).
What are the key properties of N-propan-2-yl-1,3-benzothiazole-2-carboxamide?
N-propan-2-yl-1,3-benzothiazole-2-carboxamide has a molecular weight of 220.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 972324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).