4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid

C11H15NO3S2 — CID 55179467

IUPAC4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CS(=O)CC2CCCC2)cs1
InChIInChI=1S/C11H15NO3S2/c13-11(14)10-12-9(5-16-10)7-17(15)6-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,13,14)
InChIKeyVEWZDWNDVLEBCF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds5

About 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid

4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 55179467) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID55179467
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CS(=O)CC2CCCC2)cs1
InChIInChI=1S/C11H15NO3S2/c13-11(14)10-12-9(5-16-10)7-17(15)6-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,13,14)
InChIKeyVEWZDWNDVLEBCF-UHFFFAOYSA-N
XLogP2.28
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid (CID 55179467) is 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CS(=O)CC2CCCC2)cs1.
What is the InChIKey of 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is VEWZDWNDVLEBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c13-11(14)10-12-9(5-16-10)7-17(15)6-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,13,14).
What are the key properties of 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid?
4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 273.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfinylmethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 55179467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).