5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid

C9H12N2O2S — CID 130556460

IUPAC5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCC1Nc1scnc1C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-5-2-3-6(5)11-8-7(9(12)13)10-4-14-8/h4-6,11H,2-3H2,1H3,(H,12,13)
InChIKeyMPYIFKSHZLNBHY-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.05
Rot. Bonds3

About 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid

5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 130556460) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID130556460
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCC1Nc1scnc1C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-5-2-3-6(5)11-8-7(9(12)13)10-4-14-8/h4-6,11H,2-3H2,1H3,(H,12,13)
InChIKeyMPYIFKSHZLNBHY-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid (CID 130556460) is 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid is CC1CCC1Nc1scnc1C(=O)O.
What is the InChIKey of 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MPYIFKSHZLNBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-5-2-3-6(5)11-8-7(9(12)13)10-4-14-8/h4-6,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid?
5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 130556460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).