(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide

C14H17N3O2S — CID 129380466

IUPAC(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(NCc2cscn2)c1
InChIInChI=1S/C14H17N3O2S/c1-10(19-2)14(18)17-12-5-3-4-11(6-12)15-7-13-8-20-9-16-13/h3-6,8-10,15H,7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyCAUXHAUDJWPPQG-JTQLQIEISA-N
MW291.38 g/mol
LogP2.73
Rot. Bonds6

About (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide

(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide (PubChem CID 129380466) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide
PubChem CID129380466
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(NCc2cscn2)c1
InChIInChI=1S/C14H17N3O2S/c1-10(19-2)14(18)17-12-5-3-4-11(6-12)15-7-13-8-20-9-16-13/h3-6,8-10,15H,7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyCAUXHAUDJWPPQG-JTQLQIEISA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60690780
N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
CID 61171584
3-(2-methoxyethoxymethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171806
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
(2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide
CID 129379570
N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide
CID 126803969
methyl 2-fluoro-5-(1,3-thiazol-4-ylmethylamino)benzoate
CID 61170429
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61171799
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
3-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60689652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide?
The IUPAC name of (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide (CID 129380466) is (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide?
The canonical SMILES for (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide is CO[C@@H](C)C(=O)Nc1cccc(NCc2cscn2)c1.
What is the InChIKey of (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide?
The InChIKey is CAUXHAUDJWPPQG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10(19-2)14(18)17-12-5-3-4-11(6-12)15-7-13-8-20-9-16-13/h3-6,8-10,15H,7H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide?
(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 129380466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).