N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide

C19H19FN2O3S — CID 8612770

IUPACN-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(F)ccc21
InChIInChI=1S/C19H19FN2O3S/c1-4-9-22-14-7-6-13(20)11-17(14)26-19(22)21-18(23)12-5-8-15(24-2)16(10-12)25-3/h5-8,10-11H,4,9H2,1-3H3/b21-19-
InChIKeyWTONYUDVSPUBOL-VZCXRCSSSA-N
MW374.44 g/mol
LogP4.01
Rot. Bonds5

About N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide

N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide (PubChem CID 8612770) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
PubChem CID8612770
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC NameN-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(F)ccc21
InChIInChI=1S/C19H19FN2O3S/c1-4-9-22-14-7-6-13(20)11-17(14)26-19(22)21-18(23)12-5-8-15(24-2)16(10-12)25-3/h5-8,10-11H,4,9H2,1-3H3/b21-19-
InChIKeyWTONYUDVSPUBOL-VZCXRCSSSA-N
XLogP4.01
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985096
4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984866
4-fluoro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983952
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 43984453
methyl 4-[(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 3577819
3,4,5-trimethoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540621
4-(dimethylsulfamoyl)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984872
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 40996647
N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 40697688
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 40697354
4-acetyl-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4190703

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide?
The IUPAC name of N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide (CID 8612770) is N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide is CCCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide?
The InChIKey is WTONYUDVSPUBOL-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-4-9-22-14-7-6-13(20)11-17(14)26-19(22)21-18(23)12-5-8-15(24-2)16(10-12)25-3/h5-8,10-11H,4,9H2,1-3H3/b21-19-.
What are the key properties of N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide?
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide is sourced from PubChem (CID 8612770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).