2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide

C15H17N3OS2 — CID 2878154

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide
SMILESC=CCCC(C)=NNC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C15H17N3OS2/c1-3-4-7-11(2)17-18-14(19)10-20-15-16-12-8-5-6-9-13(12)21-15/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,18,19)
InChIKeyRJBOKMKZPWNFJA-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.85
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide (PubChem CID 2878154) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide
PubChem CID2878154
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide
SMILESC=CCCC(C)=NNC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C15H17N3OS2/c1-3-4-7-11(2)17-18-14(19)10-20-15-16-12-8-5-6-9-13(12)21-15/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,18,19)
InChIKeyRJBOKMKZPWNFJA-UHFFFAOYSA-N
XLogP3.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]acetamide
CID 6184613
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-methyl-4-(5-methylfuran-2-yl)pentan-2-ylidene]amino]acetamide
CID 3776386
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(2-hydroxynaphthalen-1-yl)ethylideneamino]acetamide
CID 135953187
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]acetamide
CID 3278642
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]acetamide
CID 7463335
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]acetamide
CID 9358699
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 687735
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6866182
N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 687281
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(prop-2-enylcarbamothioyl)acetamide
CID 10734721

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide (CID 2878154) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide is C=CCCC(C)=NNC(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide?
The InChIKey is RJBOKMKZPWNFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-3-4-7-11(2)17-18-14(19)10-20-15-16-12-8-5-6-9-13(12)21-15/h3,5-6,8-9H,1,4,7,10H2,2H3,(H,18,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide has a molecular weight of 319.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(hex-5-en-2-ylideneamino)acetamide is sourced from PubChem (CID 2878154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).