(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide

C16H19FN2O2S — CID 35340568

IUPAC(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)NCCc1csc(C)n1
InChIInChI=1S/C16H19FN2O2S/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)18-9-8-12-10-22-11(2)19-12/h4-7,10,14H,3,8-9H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyYTQVXBVWRLKKDU-CQSZACIVSA-N
MW322.40 g/mol
LogP3.11
Rot. Bonds7

About (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide

(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 35340568) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID35340568
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)NCCc1csc(C)n1
InChIInChI=1S/C16H19FN2O2S/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)18-9-8-12-10-22-11(2)19-12/h4-7,10,14H,3,8-9H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyYTQVXBVWRLKKDU-CQSZACIVSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 45148684
1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045102
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110353144
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
2-(4-fluorophenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 43843753
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
N-(2-amino-2-ethylbutyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119644039
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide (CID 35340568) is (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide is CC[C@@H](Oc1ccccc1F)C(=O)NCCc1csc(C)n1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is YTQVXBVWRLKKDU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-3-14(21-15-7-5-4-6-13(15)17)16(20)18-9-8-12-10-22-11(2)19-12/h4-7,10,14H,3,8-9H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide?
(2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 322.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 35340568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).