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

C18H17FN2O2S — CID 41149476

IUPACN-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cccc(F)c21
InChIInChI=1S/C18H17FN2O2S/c1-3-10-21-16-14(19)8-5-9-15(16)24-18(21)20-17(22)12-6-4-7-13(11-12)23-2/h4-9,11H,3,10H2,1-2H3/b20-18-
InChIKeyRPGXSAJGZYVRIP-ZZEZOPTASA-N
MW344.41 g/mol
LogP4.00
Rot. Bonds4

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

N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide (PubChem CID 41149476) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
PubChem CID41149476
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cccc(F)c21
InChIInChI=1S/C18H17FN2O2S/c1-3-10-21-16-14(19)8-5-9-15(16)24-18(21)20-17(22)12-6-4-7-13(11-12)23-2/h4-9,11H,3,10H2,1-2H3/b20-18-
InChIKeyRPGXSAJGZYVRIP-ZZEZOPTASA-N
XLogP4.00
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 41001326
4-cyano-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697470
3-methoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7152892
3-ethylsulfonyl-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41005082
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]naphthalene-2-carboxamide
CID 4085701
3-butoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984384
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 41149499
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
CID 41149424
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 2151051
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide
CID 4533956
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043388
4-(diethylsulfamoyl)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41149378

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The IUPAC name of N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide (CID 41149476) is N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide.
What is the SMILES notation for N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The canonical SMILES for N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide is CCCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cccc(F)c21.
What is the InChIKey of N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
The InChIKey is RPGXSAJGZYVRIP-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-3-10-21-16-14(19)8-5-9-15(16)24-18(21)20-17(22)12-6-4-7-13(11-12)23-2/h4-9,11H,3,10H2,1-2H3/b20-18-.
What are the key properties of N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide?
N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide has a molecular weight of 344.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide is sourced from PubChem (CID 41149476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).