2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide

C10H9FN2OS — CID 145100828

IUPAC2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide
SMILESCCc1nc2c(F)cc(C(N)=O)cc2s1
InChIInChI=1S/C10H9FN2OS/c1-2-8-13-9-6(11)3-5(10(12)14)4-7(9)15-8/h3-4H,2H2,1H3,(H2,12,14)
InChIKeyDTMJNTDBZXLJKL-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.10
Rot. Bonds2

About 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide

2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide (PubChem CID 145100828) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide
PubChem CID145100828
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide
SMILESCCc1nc2c(F)cc(C(N)=O)cc2s1
InChIInChI=1S/C10H9FN2OS/c1-2-8-13-9-6(11)3-5(10(12)14)4-7(9)15-8/h3-4H,2H2,1H3,(H2,12,14)
InChIKeyDTMJNTDBZXLJKL-UHFFFAOYSA-N
XLogP2.10
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dichloro-(6-ethoxycarbonyl-4-fluoro-1,3-benzothiazol-2-yl)sulfanium
CID 134852120
4-fluoro-2-(methylamino)-1,3-benzothiazole-6-carboxylic acid
CID 139407028
methane;methyl 2-amino-4-fluoro-1,3-benzothiazole-6-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 165009883
methyl 2-ethyl-6-methyl-[1,3]thiazolo[4,5-c]pyridine-4-carboxylate
CID 76850514
2-[5-[(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 70915189
2,4,5-triethyl-1,3-benzothiazole-6-sulfonic acid
CID 141485017
ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
CID 143324079
methyl 2-ethenyl-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 139405053
methyl 4-amino-3-fluorobenzoate;methyl 2-amino-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 161113745
methyl 4-fluoro-2-heptan-2-yl-1,3-benzothiazole-6-carboxylate
CID 175901202
2-ethyl-1,3-benzothiazole-5-carboxylic acid
CID 59426527
1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone
CID 84673454

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide (CID 145100828) is 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide is CCc1nc2c(F)cc(C(N)=O)cc2s1.
What is the InChIKey of 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide?
The InChIKey is DTMJNTDBZXLJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-2-8-13-9-6(11)3-5(10(12)14)4-7(9)15-8/h3-4H,2H2,1H3,(H2,12,14).
What are the key properties of 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide?
2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 145100828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).