N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide

C19H19FN2O2S — CID 43984453

IUPACN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(OCC)ccc21
InChIInChI=1S/C19H19FN2O2S/c1-3-11-22-16-10-9-15(24-4-2)12-17(16)25-19(22)21-18(23)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3/b21-19-
InChIKeyDNTCVORXXKVMBJ-VZCXRCSSSA-N
MW358.44 g/mol
LogP4.39
Rot. Bonds5

About N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide

N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (PubChem CID 43984453) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
PubChem CID43984453
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(OCC)ccc21
InChIInChI=1S/C19H19FN2O2S/c1-3-11-22-16-10-9-15(24-4-2)12-17(16)25-19(22)21-18(23)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3/b21-19-
InChIKeyDNTCVORXXKVMBJ-VZCXRCSSSA-N
XLogP4.39
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-fluorobenzamide
CID 4247343
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 43984449
4-fluoro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983952
4-ethoxy-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3598474
4-butoxy-N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 5189278
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 43984480
4-ethoxy-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4123905
2-chloro-N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984447
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 8612770
4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984866
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The IUPAC name of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (CID 43984453) is N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.
What is the SMILES notation for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The canonical SMILES for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is CCCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(OCC)ccc21.
What is the InChIKey of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The InChIKey is DNTCVORXXKVMBJ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-3-11-22-16-10-9-15(24-4-2)12-17(16)25-19(22)21-18(23)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3/b21-19-.
What are the key properties of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide has a molecular weight of 358.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is sourced from PubChem (CID 43984453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).