4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid

C14H12N4O2S — CID 64622289

IUPAC4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid
SMILESCc1nc(Nc2c(C(=O)O)nnc3ccccc23)sc1C
InChIInChI=1S/C14H12N4O2S/c1-7-8(2)21-14(15-7)16-11-9-5-3-4-6-10(9)17-18-12(11)13(19)20/h3-6H,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyXUOCBZJNEVACOP-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.14
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid

4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid (PubChem CID 64622289) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid
PubChem CID64622289
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid
SMILESCc1nc(Nc2c(C(=O)O)nnc3ccccc23)sc1C
InChIInChI=1S/C14H12N4O2S/c1-7-8(2)21-14(15-7)16-11-9-5-3-4-6-10(9)17-18-12(11)13(19)20/h3-6H,1-2H3,(H,19,20)(H,15,16,17)
InChIKeyXUOCBZJNEVACOP-UHFFFAOYSA-N
XLogP3.14
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid (CID 64622289) is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid is Cc1nc(Nc2c(C(=O)O)nnc3ccccc23)sc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid?
The InChIKey is XUOCBZJNEVACOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-7-8(2)21-14(15-7)16-11-9-5-3-4-6-10(9)17-18-12(11)13(19)20/h3-6H,1-2H3,(H,19,20)(H,15,16,17).
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid?
4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]cinnoline-3-carboxylic acid is sourced from PubChem (CID 64622289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).