N-tert-butyl-1,3-benzothiazole-2-carboxamide

C12H14N2OS — CID 2445624

IUPACN-tert-butyl-1,3-benzothiazole-2-carboxamide
SMILESCC(C)(C)NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C12H14N2OS/c1-12(2,3)14-10(15)11-13-8-6-4-5-7-9(8)16-11/h4-7H,1-3H3,(H,14,15)
InChIKeyWVFUAJCVUKKUOB-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.82
Rot. Bonds1

About N-tert-butyl-1,3-benzothiazole-2-carboxamide

N-tert-butyl-1,3-benzothiazole-2-carboxamide (PubChem CID 2445624) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-tert-butyl-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,3-benzothiazole-2-carboxamide
PubChem CID2445624
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-tert-butyl-1,3-benzothiazole-2-carboxamide
SMILESCC(C)(C)NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C12H14N2OS/c1-12(2,3)14-10(15)11-13-8-6-4-5-7-9(8)16-11/h4-7H,1-3H3,(H,14,15)
InChIKeyWVFUAJCVUKKUOB-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-tert-butyl-1,3-benzothiazole-2-carboxamide (CID 2445624) is N-tert-butyl-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-tert-butyl-1,3-benzothiazole-2-carboxamide is CC(C)(C)NC(=O)c1nc2ccccc2s1.
What is the InChIKey of N-tert-butyl-1,3-benzothiazole-2-carboxamide?
The InChIKey is WVFUAJCVUKKUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-12(2,3)14-10(15)11-13-8-6-4-5-7-9(8)16-11/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-1,3-benzothiazole-2-carboxamide?
N-tert-butyl-1,3-benzothiazole-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 2445624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).