2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C12H18N2O4S2 — CID 63629344

IUPAC2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)C2CCCCC2)sc1C(=O)O
InChIInChI=1S/C12H18N2O4S2/c1-8-11(12(15)16)19-10(14-8)7-13-20(17,18)9-5-3-2-4-6-9/h9,13H,2-7H2,1H3,(H,15,16)
InChIKeyBNKPQBDXANPTTH-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.90
Rot. Bonds5

About 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63629344) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID63629344
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)C2CCCCC2)sc1C(=O)O
InChIInChI=1S/C12H18N2O4S2/c1-8-11(12(15)16)19-10(14-8)7-13-20(17,18)9-5-3-2-4-6-9/h9,13H,2-7H2,1H3,(H,15,16)
InChIKeyBNKPQBDXANPTTH-UHFFFAOYSA-N
XLogP1.90
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 63629344) is 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CNS(=O)(=O)C2CCCCC2)sc1C(=O)O.
What is the InChIKey of 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is BNKPQBDXANPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-8-11(12(15)16)19-10(14-8)7-13-20(17,18)9-5-3-2-4-6-9/h9,13H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63629344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).