3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide

C19H16N2OS — CID 4656911

IUPAC3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESC#CCn1/c(=N/C(=O)CCc2ccccc2)sc2ccccc21
InChIInChI=1S/C19H16N2OS/c1-2-14-21-16-10-6-7-11-17(16)23-19(21)20-18(22)13-12-15-8-4-3-5-9-15/h1,3-11H,12-14H2/b20-19-
InChIKeyQROSGONFTXTOJN-VXPUYCOJSA-N
MW320.42 g/mol
LogP3.40
Rot. Bonds4

About 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide

3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 4656911) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID4656911
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESC#CCn1/c(=N/C(=O)CCc2ccccc2)sc2ccccc21
InChIInChI=1S/C19H16N2OS/c1-2-14-21-16-10-6-7-11-17(16)23-19(21)20-18(22)13-12-15-8-4-3-5-9-15/h1,3-11H,12-14H2/b20-19-
InChIKeyQROSGONFTXTOJN-VXPUYCOJSA-N
XLogP3.40
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 40997025
N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 3345851
S-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl] ethanethioate
CID 4521570
N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylbutanamide
CID 43945258
N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylbutanamide
CID 43945162
2,2-diphenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3550580
ethyl 3-[2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8611914
(NZ)-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)nitrous amide
CID 10330959
N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 4626305
3-methyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079538
3,4-dimethyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3562348
3-methyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16880087

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide (CID 4656911) is 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide is C#CCn1/c(=N/C(=O)CCc2ccccc2)sc2ccccc21.
What is the InChIKey of 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is QROSGONFTXTOJN-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-2-14-21-16-10-6-7-11-17(16)23-19(21)20-18(22)13-12-15-8-4-3-5-9-15/h1,3-11H,12-14H2/b20-19-.
What are the key properties of 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide?
3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 320.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 4656911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).