N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide

C17H21N3O2S — CID 1160464

IUPACN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
SMILESCC(=O)Nc1nc2c(C)cc(NC(=O)C3CCCCC3)cc2s1
InChIInChI=1S/C17H21N3O2S/c1-10-8-13(19-16(22)12-6-4-3-5-7-12)9-14-15(10)20-17(23-14)18-11(2)21/h8-9,12H,3-7H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyYJBCAMXPYLKZLC-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.08
Rot. Bonds3

About N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide

N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide (PubChem CID 1160464) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
PubChem CID1160464
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
SMILESCC(=O)Nc1nc2c(C)cc(NC(=O)C3CCCCC3)cc2s1
InChIInChI=1S/C17H21N3O2S/c1-10-8-13(19-16(22)12-6-4-3-5-7-12)9-14-15(10)20-17(23-14)18-11(2)21/h8-9,12H,3-7H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyYJBCAMXPYLKZLC-UHFFFAOYSA-N
XLogP4.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide (CID 1160464) is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide is CC(=O)Nc1nc2c(C)cc(NC(=O)C3CCCCC3)cc2s1.
What is the InChIKey of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The InChIKey is YJBCAMXPYLKZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-10-8-13(19-16(22)12-6-4-3-5-7-12)9-14-15(10)20-17(23-14)18-11(2)21/h8-9,12H,3-7H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide has a molecular weight of 331.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 1160464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).