N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

C19H19N3O3S — CID 38999972

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
SMILESCCc1ccc2nc(NC(=O)CCNC(=O)/C=C/c3ccco3)sc2c1
InChIInChI=1S/C19H19N3O3S/c1-2-13-5-7-15-16(12-13)26-19(21-15)22-18(24)9-10-20-17(23)8-6-14-4-3-11-25-14/h3-8,11-12H,2,9-10H2,1H3,(H,20,23)(H,21,22,24)/b8-6+
InChIKeyNYDGNOPCEYQQKZ-SOFGYWHQSA-N
MW369.45 g/mol
LogP3.61
Rot. Bonds7

About N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide (PubChem CID 38999972) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
PubChem CID38999972
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
SMILESCCc1ccc2nc(NC(=O)CCNC(=O)/C=C/c3ccco3)sc2c1
InChIInChI=1S/C19H19N3O3S/c1-2-13-5-7-15-16(12-13)26-19(21-15)22-18(24)9-10-20-17(23)8-6-14-4-3-11-25-14/h3-8,11-12H,2,9-10H2,1H3,(H,20,23)(H,21,22,24)/b8-6+
InChIKeyNYDGNOPCEYQQKZ-SOFGYWHQSA-N
XLogP3.61
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(6-butyl-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 2664303
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 2555545
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 896951
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 3276839
(E)-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 953431
N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 42185868
N-(6-chloro-1,3-benzothiazol-2-yl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 8582396
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24564334
3-[3-(furan-2-yl)prop-2-enoylamino]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 55615934
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide (CID 38999972) is N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide is CCc1ccc2nc(NC(=O)CCNC(=O)/C=C/c3ccco3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The InChIKey is NYDGNOPCEYQQKZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-13-5-7-15-16(12-13)26-19(21-15)22-18(24)9-10-20-17(23)8-6-14-4-3-11-25-14/h3-8,11-12H,2,9-10H2,1H3,(H,20,23)(H,21,22,24)/b8-6+.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide has a molecular weight of 369.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 38999972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).