N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide

C17H20N2O2S — CID 2151421

IUPACN-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide
SMILESC#CCn1/c(=N/C(=O)CCCC)sc2cccc(OCC)c21
InChIInChI=1S/C17H20N2O2S/c1-4-7-11-15(20)18-17-19(12-5-2)16-13(21-6-3)9-8-10-14(16)22-17/h2,8-10H,4,6-7,11-12H2,1,3H3/b18-17-
InChIKeyZIAYHYXIZLXPTQ-ZCXUNETKSA-N
MW316.43 g/mol
LogP3.35
Rot. Bonds6

About N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide

N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide (PubChem CID 2151421) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide
PubChem CID2151421
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide
SMILESC#CCn1/c(=N/C(=O)CCCC)sc2cccc(OCC)c21
InChIInChI=1S/C17H20N2O2S/c1-4-7-11-15(20)18-17-19(12-5-2)16-13(21-6-3)9-8-10-14(16)22-17/h2,8-10H,4,6-7,11-12H2,1,3H3/b18-17-
InChIKeyZIAYHYXIZLXPTQ-ZCXUNETKSA-N
XLogP3.35
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide
CID 2151420
N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
CID 7161781
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 7152857
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 43946505
3-bromo-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885767
4-benzyl-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43946342
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 2151357
4-(dipropylsulfamoyl)-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885835
3-(benzenesulfonyl)-N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 41001584
N-(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 7541320
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 4549679
3-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7153853

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide?
The IUPAC name of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide (CID 2151421) is N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide.
What is the SMILES notation for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide?
The canonical SMILES for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide is C#CCn1/c(=N/C(=O)CCCC)sc2cccc(OCC)c21.
What is the InChIKey of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide?
The InChIKey is ZIAYHYXIZLXPTQ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-4-7-11-15(20)18-17-19(12-5-2)16-13(21-6-3)9-8-10-14(16)22-17/h2,8-10H,4,6-7,11-12H2,1,3H3/b18-17-.
What are the key properties of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide?
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide has a molecular weight of 316.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide is sourced from PubChem (CID 2151421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).