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

C17H15N3O3S — CID 4295262

IUPACN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2ccco2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C17H15N3O3S/c1-3-8-20-13-7-6-12(18-11(2)21)10-15(13)24-17(20)19-16(22)14-5-4-9-23-14/h3-7,9-10H,1,8H2,2H3,(H,18,21)/b19-17-
InChIKeyWRKOFUCRXKHZJJ-ZPHPHTNESA-N
MW341.39 g/mol
LogP3.18
Rot. Bonds4

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

N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 4295262) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID4295262
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2ccco2)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C17H15N3O3S/c1-3-8-20-13-7-6-12(18-11(2)21)10-15(13)24-17(20)19-16(22)14-5-4-9-23-14/h3-7,9-10H,1,8H2,2H3,(H,18,21)/b19-17-
InChIKeyWRKOFUCRXKHZJJ-ZPHPHTNESA-N
XLogP3.18
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[6-acetamido-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 4146721
N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 40508521
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 5049714
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
CID 4304014
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 3404226
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 4197664
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 3479716
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 4671616
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 5207772
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide
CID 4122209
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 2104761
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
CID 3700696

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 4295262) is N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is C=CCn1/c(=N/C(=O)c2ccco2)sc2cc(NC(C)=O)ccc21.
What is the InChIKey of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is WRKOFUCRXKHZJJ-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-3-8-20-13-7-6-12(18-11(2)21)10-15(13)24-17(20)19-16(22)14-5-4-9-23-14/h3-7,9-10H,1,8H2,2H3,(H,18,21)/b19-17-.
What are the key properties of N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 4295262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).