4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide

C19H20N2OS2 — CID 78801574

IUPAC4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide
SMILESC=CCN(Cc1cccs1)C(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C19H20N2OS2/c1-2-12-21(14-15-7-6-13-23-15)19(22)11-5-10-18-20-16-8-3-4-9-17(16)24-18/h2-4,6-9,13H,1,5,10-12,14H2
InChIKeyCIVNPWMYHNMSIR-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.90
Rot. Bonds8

About 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide

4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 78801574) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID78801574
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide
SMILESC=CCN(Cc1cccs1)C(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C19H20N2OS2/c1-2-12-21(14-15-7-6-13-23-15)19(22)11-5-10-18-20-16-8-3-4-9-17(16)24-18/h2-4,6-9,13H,1,5,10-12,14H2
InChIKeyCIVNPWMYHNMSIR-UHFFFAOYSA-N
XLogP4.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 7605159
4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide
CID 78783707
3-[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]propanoic acid
CID 119190925
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 112761133
4-[[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56512435
3-(1,3-benzothiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83961875
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 18193542
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-ylbutan-1-one
CID 9237891
4-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 51157146
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide (CID 78801574) is 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide is C=CCN(Cc1cccs1)C(=O)CCCc1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is CIVNPWMYHNMSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-2-12-21(14-15-7-6-13-23-15)19(22)11-5-10-18-20-16-8-3-4-9-17(16)24-18/h2-4,6-9,13H,1,5,10-12,14H2.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide?
4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 356.52 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 78801574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).