3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid

C15H13N3O2S — CID 103485917

IUPAC3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C15H13N3O2S/c19-13(20)7-6-11-9-21-15(17-11)18-12-5-1-3-10-4-2-8-16-14(10)12/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20)
InChIKeyPKCYRWSWVJPHTF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.45
Rot. Bonds5

About 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid

3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103485917) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103485917
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C15H13N3O2S/c19-13(20)7-6-11-9-21-15(17-11)18-12-5-1-3-10-4-2-8-16-14(10)12/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20)
InChIKeyPKCYRWSWVJPHTF-UHFFFAOYSA-N
XLogP3.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-methylsulfanylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 107647029
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576595
2-[2-(isoquinolin-5-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574746
2-(pyridin-2-ylamino)-N-quinolin-8-yl-1,3-thiazole-4-carboxamide
CID 90509900
3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]propanoic acid
CID 58795533
3-[2-(1,3-benzothiazol-6-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 107806768
3-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
methyl 3-[2-(3-bromo-2-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107638494
3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103487121
3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488722
3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103488416
2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576847

Frequently Asked Questions

What is the IUPAC name of 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid (CID 103485917) is 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid is O=C(O)CCc1csc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is PKCYRWSWVJPHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-13(20)7-6-11-9-21-15(17-11)18-12-5-1-3-10-4-2-8-16-14(10)12/h1-5,8-9H,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 299.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(quinolin-8-ylamino)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103485917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).