2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid

C14H15N3O3S — CID 110450285

IUPAC2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESNCc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)cc1
InChIInChI=1S/C14H15N3O3S/c15-6-9-1-3-10(4-2-9)14-17-11(8-21-14)5-12(18)16-7-13(19)20/h1-4,8H,5-7,15H2,(H,16,18)(H,19,20)
InChIKeyMZOQRURDTLZALL-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.01
Rot. Bonds6

About 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid

2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 110450285) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID110450285
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESNCc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)cc1
InChIInChI=1S/C14H15N3O3S/c15-6-9-1-3-10(4-2-9)14-17-11(8-21-14)5-12(18)16-7-13(19)20/h1-4,8H,5-7,15H2,(H,16,18)(H,19,20)
InChIKeyMZOQRURDTLZALL-UHFFFAOYSA-N
XLogP1.01
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 110450412
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 18271955
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 82548086
2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 45492200
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964
N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119996957
benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 32982193
2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
CID 110450278

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 110450285) is 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid is NCc1ccc(-c2nc(CC(=O)NCC(=O)O)cs2)cc1.
What is the InChIKey of 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is MZOQRURDTLZALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-6-9-1-3-10(4-2-9)14-17-11(8-21-14)5-12(18)16-7-13(19)20/h1-4,8H,5-7,15H2,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 110450285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).