N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide

C16H20N2O2S — CID 9123252

IUPACN-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCC[C@H](C)NC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-11(2)17-15(19)9-20-14-7-5-13(6-8-14)16-18-12(3)10-21-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyKDOCRCQXKGALQE-NSHDSACASA-N
MW304.42 g/mol
LogP3.41
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide

N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (PubChem CID 9123252) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
PubChem CID9123252
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCC[C@H](C)NC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-4-11(2)17-15(19)9-20-14-7-5-13(6-8-14)16-18-12(3)10-21-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyKDOCRCQXKGALQE-NSHDSACASA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide with MolForge

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Related Compounds

N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123769
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
methyl (2S)-4-methyl-2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]pentanoate
CID 9123652
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837965
ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123178
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123022
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N-[2-(2-fluorophenyl)ethyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123727
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (CID 9123252) is N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is CC[C@H](C)NC(=O)COc1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The InChIKey is KDOCRCQXKGALQE-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-11(2)17-15(19)9-20-14-7-5-13(6-8-14)16-18-12(3)10-21-16/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 9123252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).