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

C10H13NO4S2 — CID 63114532

IUPAC4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CS(=O)(=O)C2CCCC2)cs1
InChIInChI=1S/C10H13NO4S2/c12-10(13)9-11-7(5-16-9)6-17(14,15)8-3-1-2-4-8/h5,8H,1-4,6H2,(H,12,13)
InChIKeyJZLPMVATBUATJP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.70
Rot. Bonds4

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

4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 63114532) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID63114532
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CS(=O)(=O)C2CCCC2)cs1
InChIInChI=1S/C10H13NO4S2/c12-10(13)9-11-7(5-16-9)6-17(14,15)8-3-1-2-4-8/h5,8H,1-4,6H2,(H,12,13)
InChIKeyJZLPMVATBUATJP-UHFFFAOYSA-N
XLogP1.70
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid (CID 63114532) is 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CS(=O)(=O)C2CCCC2)cs1.
What is the InChIKey of 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is JZLPMVATBUATJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c12-10(13)9-11-7(5-16-9)6-17(14,15)8-3-1-2-4-8/h5,8H,1-4,6H2,(H,12,13).
What are the key properties of 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid?
4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 63114532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).