N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide

C14H17FN2OS — CID 2104911

IUPACN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
SMILESCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(F)ccc21
InChIInChI=1S/C14H17FN2OS/c1-5-17-10-7-6-9(15)8-11(10)19-13(17)16-12(18)14(2,3)4/h6-8H,5H2,1-4H3/b16-13-
InChIKeyFGYXAJWDYLMPDY-SSZFMOIBSA-N
MW280.37 g/mol
LogP3.34
Rot. Bonds1

About N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide

N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide (PubChem CID 2104911) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
PubChem CID2104911
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
SMILESCCn1/c(=N/C(=O)C(C)(C)C)sc2cc(F)ccc21
InChIInChI=1S/C14H17FN2OS/c1-5-17-10-7-6-9(15)8-11(10)19-13(17)16-12(18)14(2,3)4/h6-8H,5H2,1-4H3/b16-13-
InChIKeyFGYXAJWDYLMPDY-SSZFMOIBSA-N
XLogP3.34
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2151125
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
CID 830668
(Z)-N-(4,6-difluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclopropanecarboxamide
CID 2151109
(E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2312317
(Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)acetamide
CID 3238397
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 3242753
S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3245907
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 3545464
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3685735
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2151118
4-Hydroxy-3-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
CID 135473079

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide (CID 2104911) is N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide is CCn1/c(=N/C(=O)C(C)(C)C)sc2cc(F)ccc21.
What is the InChIKey of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The InChIKey is FGYXAJWDYLMPDY-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-5-17-10-7-6-9(15)8-11(10)19-13(17)16-12(18)14(2,3)4/h6-8H,5H2,1-4H3/b16-13-.
What are the key properties of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 2104911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).