N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

C11H16N2OS — CID 3132917

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C11H16N2OS/c1-2-5-10(14)13-11-12-8-6-3-4-7-9(8)15-11/h2-7H2,1H3,(H,12,13,14)
InChIKeyGMCZCIZVVBYJEC-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.76
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide (PubChem CID 3132917) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
PubChem CID3132917
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C11H16N2OS/c1-2-5-10(14)13-11-12-8-6-3-4-7-9(8)15-11/h2-7H2,1H3,(H,12,13,14)
InChIKeyGMCZCIZVVBYJEC-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide (CID 3132917) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide is CCCC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is GMCZCIZVVBYJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-5-10(14)13-11-12-8-6-3-4-7-9(8)15-11/h2-7H2,1H3,(H,12,13,14).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 224.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 3132917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).