4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

C9H13NO2S — CID 43155300

IUPAC4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(C)C)sc1C(=O)O
InChIInChI=1S/C9H13NO2S/c1-5(2)4-7-10-6(3)8(13-7)9(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKeyDTCTYXWBPYEBGO-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.35
Rot. Bonds3

About 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 43155300) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID43155300
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(C)C)sc1C(=O)O
InChIInChI=1S/C9H13NO2S/c1-5(2)4-7-10-6(3)8(13-7)9(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKeyDTCTYXWBPYEBGO-UHFFFAOYSA-N
XLogP2.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (CID 43155300) is 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(CC(C)C)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DTCTYXWBPYEBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-5(2)4-7-10-6(3)8(13-7)9(11)12/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 199.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 43155300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).