2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid

C14H11N3O2S — CID 80576847

IUPAC2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C14H11N3O2S/c18-13(19)7-11-8-20-14(17-11)16-10-3-4-12-9(6-10)2-1-5-15-12/h1-6,8H,7H2,(H,16,17)(H,18,19)
InChIKeyCPNVFQQMADNGJQ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.06
Rot. Bonds4

About 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576847) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID80576847
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C14H11N3O2S/c18-13(19)7-11-8-20-14(17-11)16-10-3-4-12-9(6-10)2-1-5-15-12/h1-6,8H,7H2,(H,16,17)(H,18,19)
InChIKeyCPNVFQQMADNGJQ-UHFFFAOYSA-N
XLogP3.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
2-[2-[3-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetic acid
CID 113297957
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576595
2-[2-(naphthalen-2-ylamino)-1,3-thiazol-4-yl]acetamide
CID 170510503
3-[2-(1,3-benzothiazol-6-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 107806768
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
2-[2-(isoquinolin-5-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574746
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
2-[2-[(thieno[3,2-b]pyridin-2-ylmethylamino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 167779279
2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone
CID 116575719

Frequently Asked Questions

What is the IUPAC name of 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid (CID 80576847) is 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CPNVFQQMADNGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(19)7-11-8-20-14(17-11)16-10-3-4-12-9(6-10)2-1-5-15-12/h1-6,8H,7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 285.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(quinolin-6-ylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).