(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide

C23H26FN3OS — CID 7415959

IUPAC(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C23H26FN3OS/c1-3-5-9-16(4-2)22(28)25-18-11-8-10-17(14-18)21-15-29-23(27-21)26-20-13-7-6-12-19(20)24/h6-8,10-16H,3-5,9H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyIIRGVQVXMTYMKM-INIZCTEOSA-N
MW411.55 g/mol
LogP6.85
Rot. Bonds9

About (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide

(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide (PubChem CID 7415959) has the molecular formula C23H26FN3OS and a molecular weight of 411.55 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
PubChem CID7415959
Molecular FormulaC23H26FN3OS
Molecular Weight411.55 g/mol
Exact Mass411.18
IUPAC Name(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C23H26FN3OS/c1-3-5-9-16(4-2)22(28)25-18-11-8-10-17(14-18)21-15-29-23(27-21)26-20-13-7-6-12-19(20)24/h6-8,10-16H,3-5,9H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1
InChIKeyIIRGVQVXMTYMKM-INIZCTEOSA-N
XLogP6.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7261173
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
CID 92767812
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
CID 4642732
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26507291
N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 90625709
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]octanamide
CID 5216456
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
CID 3475744
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide?
The IUPAC name of (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide (CID 7415959) is (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide.
What is the SMILES notation for (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide?
The canonical SMILES for (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide is CCCC[C@H](CC)C(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1.
What is the InChIKey of (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide?
The InChIKey is IIRGVQVXMTYMKM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26FN3OS/c1-3-5-9-16(4-2)22(28)25-18-11-8-10-17(14-18)21-15-29-23(27-21)26-20-13-7-6-12-19(20)24/h6-8,10-16H,3-5,9H2,1-2H3,(H,25,28)(H,26,27)/t16-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide?
(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide has a molecular weight of 411.55 g/mol, XLogP of 6.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide is sourced from PubChem (CID 7415959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).