N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

C16H13FN2O3S — CID 7193198

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(F)cccc3s2)c(OC)c1
InChIInChI=1S/C16H13FN2O3S/c1-21-9-6-7-10(12(8-9)22-2)15(20)19-16-18-14-11(17)4-3-5-13(14)23-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyNZZZMSYZHBNWNI-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.70
Rot. Bonds4

About N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide (PubChem CID 7193198) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
PubChem CID7193198
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(F)cccc3s2)c(OC)c1
InChIInChI=1S/C16H13FN2O3S/c1-21-9-6-7-10(12(8-9)22-2)15(20)19-16-18-14-11(17)4-3-5-13(14)23-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyNZZZMSYZHBNWNI-UHFFFAOYSA-N
XLogP3.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
2,4-dimethoxy-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 17177149
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide (CID 7193198) is N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3c(F)cccc3s2)c(OC)c1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The InChIKey is NZZZMSYZHBNWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-21-9-6-7-10(12(8-9)22-2)15(20)19-16-18-14-11(17)4-3-5-13(14)23-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide has a molecular weight of 332.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 7193198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).