N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

C15H19N3O2S2 — CID 8963138

IUPACN-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1
InChIInChI=1S/C15H19N3O2S2/c1-16-15-17-14(11-21-15)12-5-7-13(8-6-12)22(19,20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyLGUGOFISFXKBIV-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.03
Rot. Bonds4

About N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 8963138) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID8963138
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1
InChIInChI=1S/C15H19N3O2S2/c1-16-15-17-14(11-21-15)12-5-7-13(8-6-12)22(19,20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyLGUGOFISFXKBIV-UHFFFAOYSA-N
XLogP3.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (CID 8963138) is N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is CNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.
What is the InChIKey of N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LGUGOFISFXKBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-16-15-17-14(11-21-15)12-5-7-13(8-6-12)22(19,20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 337.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 8963138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).