3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

C14H15N3O3S — CID 82032610

IUPAC3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1csc(-c2ccncc2)n1
InChIInChI=1S/C14H15N3O3S/c1-17(7-4-13(19)20)12(18)8-11-9-21-14(16-11)10-2-5-15-6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20)
InChIKeyMKDNEBMZGNJYRS-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.68
Rot. Bonds6

About 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid

3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 82032610) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
PubChem CID82032610
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1csc(-c2ccncc2)n1
InChIInChI=1S/C14H15N3O3S/c1-17(7-4-13(19)20)12(18)8-11-9-21-14(16-11)10-2-5-15-6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20)
InChIKeyMKDNEBMZGNJYRS-UHFFFAOYSA-N
XLogP1.68
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]propanoic acid
CID 119232469
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-methylamino]propanoic acid
CID 119233037
N-[2-(dimethylamino)ethyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084396
N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 110386212
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119206740
3-[propan-2-yl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119207601
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39080906
N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 110333448
3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119207484
3-[methyl-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119232998
N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid (CID 82032610) is 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)Cc1csc(-c2ccncc2)n1.
What is the InChIKey of 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is MKDNEBMZGNJYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(7-4-13(19)20)12(18)8-11-9-21-14(16-11)10-2-5-15-6-3-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20).
What are the key properties of 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid?
3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 305.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 82032610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).