1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

C15H18N2O2S2 — CID 61336316

IUPAC1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCS(=O)(=O)c1ccc(-c2csc(C3(N)CCCC3)n2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-21(18,19)12-6-4-11(5-7-12)13-10-20-14(17-13)15(16)8-2-3-9-15/h4-7,10H,2-3,8-9,16H2,1H3
InChIKeyAZUBNLUUQYBQOY-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (PubChem CID 61336316) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
PubChem CID61336316
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESCS(=O)(=O)c1ccc(-c2csc(C3(N)CCCC3)n2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-21(18,19)12-6-4-11(5-7-12)13-10-20-14(17-13)15(16)8-2-3-9-15/h4-7,10H,2-3,8-9,16H2,1H3
InChIKeyAZUBNLUUQYBQOY-UHFFFAOYSA-N
XLogP2.94
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (CID 61336316) is 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is CS(=O)(=O)c1ccc(-c2csc(C3(N)CCCC3)n2)cc1.
What is the InChIKey of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The InChIKey is AZUBNLUUQYBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-21(18,19)12-6-4-11(5-7-12)13-10-20-14(17-13)15(16)8-2-3-9-15/h4-7,10H,2-3,8-9,16H2,1H3.
What are the key properties of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine has a molecular weight of 322.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 61336316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).