2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid

C10H9NO2S — CID 123214082

IUPAC2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2c(s1)CC=CC(C(=O)O)=C2
InChIInChI=1S/C10H9NO2S/c1-6-11-8-5-7(10(12)13)3-2-4-9(8)14-6/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyZYELYRGFYVNMCX-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.03
Rot. Bonds1

About 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid

2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid (PubChem CID 123214082) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid
PubChem CID123214082
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2c(s1)CC=CC(C(=O)O)=C2
InChIInChI=1S/C10H9NO2S/c1-6-11-8-5-7(10(12)13)3-2-4-9(8)14-6/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyZYELYRGFYVNMCX-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid (CID 123214082) is 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid is Cc1nc2c(s1)CC=CC(C(=O)O)=C2.
What is the InChIKey of 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid?
The InChIKey is ZYELYRGFYVNMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6-11-8-5-7(10(12)13)3-2-4-9(8)14-6/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid?
2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8H-cyclohepta[d][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 123214082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).