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

C9H11NO2S — CID 115422719

IUPAC2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(CC2CC2)nc1C(=O)O
InChIInChI=1S/C9H11NO2S/c1-5-8(9(11)12)10-7(13-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyZXPCIEBFRYXPFD-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.10
Rot. Bonds3

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

2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115422719) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115422719
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(CC2CC2)nc1C(=O)O
InChIInChI=1S/C9H11NO2S/c1-5-8(9(11)12)10-7(13-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyZXPCIEBFRYXPFD-UHFFFAOYSA-N
XLogP2.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115422719) is 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(CC2CC2)nc1C(=O)O.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZXPCIEBFRYXPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-5-8(9(11)12)10-7(13-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115422719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).