(E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide

C19H17FN2OS — CID 7247598

IUPAC(E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
SMILESCCCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cccc(F)c21
InChIInChI=1S/C19H17FN2OS/c1-2-13-22-18-15(20)9-6-10-16(18)24-19(22)21-17(23)12-11-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3/b12-11+,21-19-
InChIKeyVDZZWMFREJZGGJ-BPYFUBPNSA-N
MW340.42 g/mol
LogP4.39
Rot. Bonds4

About (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide

(E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide (PubChem CID 7247598) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
PubChem CID7247598
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name(E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
SMILESCCCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cccc(F)c21
InChIInChI=1S/C19H17FN2OS/c1-2-13-22-18-15(20)9-6-10-16(18)24-19(22)21-17(23)12-11-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3/b12-11+,21-19-
InChIKeyVDZZWMFREJZGGJ-BPYFUBPNSA-N
XLogP4.39
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pentyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 155569209
8-methyl-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 714693
(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2151125
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
4-Phenyl-2H-pyrimido(2,1-B)(1,3)benzothiazol-2-one
CID 10084936
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
CID 830668
(E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2312317
(Z)-N-(6-acetamido-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)cinnamamide
CID 7125403
(Z,Z)-5-Benzylidene-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236806
5-[4-(Dimethylamino)benzylidene]-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
CID 135761054
N-(3-pentyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide
CID 155553908
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2151118

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide (CID 7247598) is (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide is CCCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cccc(F)c21.
What is the InChIKey of (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide?
The InChIKey is VDZZWMFREJZGGJ-BPYFUBPNSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-2-13-22-18-15(20)9-6-10-16(18)24-19(22)21-17(23)12-11-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3/b12-11+,21-19-.
What are the key properties of (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide?
(E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide has a molecular weight of 340.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide is sourced from PubChem (CID 7247598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).