3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid

C14H14N2O3S — CID 138044082

IUPAC3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccccc1)C(=O)c1cscn1
InChIInChI=1S/C14H14N2O3S/c17-13(18)6-7-16(8-11-4-2-1-3-5-11)14(19)12-9-20-10-15-12/h1-5,9-10H,6-8H2,(H,17,18)
InChIKeyYKYOVHPVVFEORE-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.26
Rot. Bonds6

About 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid

3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 138044082) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID138044082
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccccc1)C(=O)c1cscn1
InChIInChI=1S/C14H14N2O3S/c17-13(18)6-7-16(8-11-4-2-1-3-5-11)14(19)12-9-20-10-15-12/h1-5,9-10H,6-8H2,(H,17,18)
InChIKeyYKYOVHPVVFEORE-UHFFFAOYSA-N
XLogP2.26
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
3-[2-methylpropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119190716
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 63022155
N-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 63049772
3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 63024405
3-[4-methyl-N-(1,3-thiazole-4-carbonyl)anilino]propanoic acid
CID 63021821
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049222

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 138044082) is 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid is O=C(O)CCN(Cc1ccccc1)C(=O)c1cscn1.
What is the InChIKey of 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is YKYOVHPVVFEORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(18)6-7-16(8-11-4-2-1-3-5-11)14(19)12-9-20-10-15-12/h1-5,9-10H,6-8H2,(H,17,18).
What are the key properties of 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid?
3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 138044082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).