N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide

C19H23N3O2S — CID 3565390

IUPACN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
SMILESC=CCn1/c(=N/C(=O)C2CCCCC2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C19H23N3O2S/c1-3-11-22-16-10-9-15(20-13(2)23)12-17(16)25-19(22)21-18(24)14-7-5-4-6-8-14/h3,9-10,12,14H,1,4-8,11H2,2H3,(H,20,23)/b21-19-
InChIKeyVNDYWOISNOYNQV-VZCXRCSSSA-N
MW357.48 g/mol
LogP3.85
Rot. Bonds4

About N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide

N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide (PubChem CID 3565390) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
PubChem CID3565390
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
SMILESC=CCn1/c(=N/C(=O)C2CCCCC2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C19H23N3O2S/c1-3-11-22-16-10-9-15(20-13(2)23)12-17(16)25-19(22)21-18(24)14-7-5-4-6-8-14/h3,9-10,12,14H,1,4-8,11H2,2H3,(H,20,23)/b21-19-
InChIKeyVNDYWOISNOYNQV-VZCXRCSSSA-N
XLogP3.85
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The IUPAC name of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide (CID 3565390) is N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide is C=CCn1/c(=N/C(=O)C2CCCCC2)sc2cc(NC(C)=O)ccc21.
What is the InChIKey of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The InChIKey is VNDYWOISNOYNQV-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-11-22-16-10-9-15(20-13(2)23)12-17(16)25-19(22)21-18(24)14-7-5-4-6-8-14/h3,9-10,12,14H,1,4-8,11H2,2H3,(H,20,23)/b21-19-.
What are the key properties of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide is sourced from PubChem (CID 3565390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).