2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid

C13H14N2O3S — CID 9148773

IUPAC2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(CNc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C13H14N2O3S/c1-18-11-4-2-9(3-5-11)7-14-13-15-10(8-19-13)6-12(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyHTGDKVRLRULBHN-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9148773) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID9148773
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(CNc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C13H14N2O3S/c1-18-11-4-2-9(3-5-11)7-14-13-15-10(8-19-13)6-12(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyHTGDKVRLRULBHN-UHFFFAOYSA-N
XLogP2.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80574203
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155763
2-[2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575860
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
2-[2-[(2-bromophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575894
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
CID 58791712
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032612

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid (CID 9148773) is 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid is COc1ccc(CNc2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is HTGDKVRLRULBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-11-4-2-9(3-5-11)7-14-13-15-10(8-19-13)6-12(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9148773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).