3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid

C13H15N3O3S — CID 103487409

IUPAC3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
SMILESCOc1cc(CNc2nc(CCC(=O)O)cs2)ccn1
InChIInChI=1S/C13H15N3O3S/c1-19-11-6-9(4-5-14-11)7-15-13-16-10(8-20-13)2-3-12(17)18/h4-6,8H,2-3,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyNXCRUYMEJAJKJW-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.18
Rot. Bonds7

About 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid

3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103487409) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
PubChem CID103487409
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
SMILESCOc1cc(CNc2nc(CCC(=O)O)cs2)ccn1
InChIInChI=1S/C13H15N3O3S/c1-19-11-6-9(4-5-14-11)7-15-13-16-10(8-20-13)2-3-12(17)18/h4-6,8H,2-3,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyNXCRUYMEJAJKJW-UHFFFAOYSA-N
XLogP2.18
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
N-(4-methoxyphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 704558
N-(4-methoxyphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 793675
4-[(2-methoxy-4-pyridinyl)methyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 45483952
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethoxypyridine-4-carboxamide
CID 56792059
N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 71867421
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]oxamide
CID 86819295
4-(2-methoxy-3-pyridinyl)-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 119052745
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-methoxyisonicotinamide
CID 124204663
2-(4-fluorophenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831673
N-[5-(6-methoxypyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 87176757
2,2,2-trifluoro-N-[4-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 129016361

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid (CID 103487409) is 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid is COc1cc(CNc2nc(CCC(=O)O)cs2)ccn1.
What is the InChIKey of 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is NXCRUYMEJAJKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-19-11-6-9(4-5-14-11)7-15-13-16-10(8-20-13)2-3-12(17)18/h4-6,8H,2-3,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid?
3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 293.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103487409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).