3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

C17H24N4O2S2 — CID 110100406

IUPAC3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1nc(-c2ccc(C3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C
InChIInChI=1S/C17H24N4O2S2/c1-12-13(2)24-17(19-12)14-7-8-16(18-10-14)15-6-5-9-21(11-15)25(22,23)20(3)4/h7-8,10,15H,5-6,9,11H2,1-4H3
InChIKeyOYZYXTUDWSIQAD-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.81
Rot. Bonds4

About 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 110100406) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID110100406
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1nc(-c2ccc(C3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C
InChIInChI=1S/C17H24N4O2S2/c1-12-13(2)24-17(19-12)14-7-8-16(18-10-14)15-6-5-9-21(11-15)25(22,23)20(3)4/h7-8,10,15H,5-6,9,11H2,1-4H3
InChIKeyOYZYXTUDWSIQAD-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 110100406) is 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is Cc1nc(-c2ccc(C3CCCN(S(=O)(=O)N(C)C)C3)nc2)sc1C.
What is the InChIKey of 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is OYZYXTUDWSIQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-12-13(2)24-17(19-12)14-7-8-16(18-10-14)15-6-5-9-21(11-15)25(22,23)20(3)4/h7-8,10,15H,5-6,9,11H2,1-4H3.
What are the key properties of 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 380.54 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110100406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).