(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide

C15H18N2OS — CID 154979709

IUPAC(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
SMILESCNC(=O)C[C@H](C)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C15H18N2OS/c1-10(8-14(18)16-3)12-4-6-13(7-5-12)15-11(2)17-9-19-15/h4-7,9-10H,8H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyBLADJGVWCQJYDS-JTQLQIEISA-N
MW274.39 g/mol
LogP3.36
Rot. Bonds4

About (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide

(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide (PubChem CID 154979709) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
PubChem CID154979709
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
SMILESCNC(=O)C[C@H](C)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C15H18N2OS/c1-10(8-14(18)16-3)12-4-6-13(7-5-12)15-11(2)17-9-19-15/h4-7,9-10H,8H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyBLADJGVWCQJYDS-JTQLQIEISA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(4-methylphenyl)butanamide
CID 82075625
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174157567
1-[(1R)-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 164705218
(3R)-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butan-1-one
CID 158073307
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
N-methyl-2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propoxy]ethoxy]ethoxy]ethanamine
CID 146179209
(2S)-1-[(2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-2-(methylamino)butan-1-one
CID 170060848
tert-butyl (2S,4R)-4-hydroxy-2-[(3R)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidine-1-carboxylate
CID 148836183
(3S)-3-amino-N-(6-aminohexyl)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanamide
CID 167039816

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide?
The IUPAC name of (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide (CID 154979709) is (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide.
What is the SMILES notation for (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide?
The canonical SMILES for (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide is CNC(=O)C[C@H](C)c1ccc(-c2scnc2C)cc1.
What is the InChIKey of (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide?
The InChIKey is BLADJGVWCQJYDS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(8-14(18)16-3)12-4-6-13(7-5-12)15-11(2)17-9-19-15/h4-7,9-10H,8H2,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide?
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide has a molecular weight of 274.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 154979709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).