4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide

C17H23N3O2S — CID 123660320

IUPAC4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide
SMILESCNC(CC(C)O)C(=O)NCc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C17H23N3O2S/c1-11(21)8-15(18-3)17(22)19-9-13-4-6-14(7-5-13)16-12(2)20-10-23-16/h4-7,10-11,15,18,21H,8-9H2,1-3H3,(H,19,22)
InChIKeyFFYQYGKXTHEBLA-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.09
Rot. Bonds7

About 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide

4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide (PubChem CID 123660320) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide
PubChem CID123660320
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide
SMILESCNC(CC(C)O)C(=O)NCc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C17H23N3O2S/c1-11(21)8-15(18-3)17(22)19-9-13-4-6-14(7-5-13)16-12(2)20-10-23-16/h4-7,10-11,15,18,21H,8-9H2,1-3H3,(H,19,22)
InChIKeyFFYQYGKXTHEBLA-UHFFFAOYSA-N
XLogP2.09
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S)-3-amino-1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylamino]-1-oxopropan-2-yl]-3,3-dimethyl-2-(propanoylamino)butanamide
CID 172605240
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
4-hydroxy-1-(2-methylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 170171241
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
1-(2,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;ethane
CID 176987930
(2S,4R)-1-tert-butyl-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 141398988
2-(1,4-dihydroxycyclohexyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
CID 146108753
(2R)-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142305215
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide?
The IUPAC name of 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide (CID 123660320) is 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide is CNC(CC(C)O)C(=O)NCc1ccc(-c2scnc2C)cc1.
What is the InChIKey of 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide?
The InChIKey is FFYQYGKXTHEBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11(21)8-15(18-3)17(22)19-9-13-4-6-14(7-5-13)16-12(2)20-10-23-16/h4-7,10-11,15,18,21H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide?
4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide has a molecular weight of 333.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide is sourced from PubChem (CID 123660320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).