(1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine

C17H20N4O2S2 — CID 166305257

IUPAC(1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine
SMILESNCC1(c2ccccc2)CCN(S(=O)(=O)c2cnc3sccn23)CC1
InChIInChI=1S/C17H20N4O2S2/c18-13-17(14-4-2-1-3-5-14)6-8-20(9-7-17)25(22,23)15-12-19-16-21(15)10-11-24-16/h1-5,10-12H,6-9,13,18H2
InChIKeyUNTHFUNLIHJDTD-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.08
Rot. Bonds4

About (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine

(1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine (PubChem CID 166305257) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine
PubChem CID166305257
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name(1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine
SMILESNCC1(c2ccccc2)CCN(S(=O)(=O)c2cnc3sccn23)CC1
InChIInChI=1S/C17H20N4O2S2/c18-13-17(14-4-2-1-3-5-14)6-8-20(9-7-17)25(22,23)15-12-19-16-21(15)10-11-24-16/h1-5,10-12H,6-9,13,18H2
InChIKeyUNTHFUNLIHJDTD-UHFFFAOYSA-N
XLogP2.08
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine?
The IUPAC name of (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine (CID 166305257) is (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine is NCC1(c2ccccc2)CCN(S(=O)(=O)c2cnc3sccn23)CC1.
What is the InChIKey of (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine?
The InChIKey is UNTHFUNLIHJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c18-13-17(14-4-2-1-3-5-14)6-8-20(9-7-17)25(22,23)15-12-19-16-21(15)10-11-24-16/h1-5,10-12H,6-9,13,18H2.
What are the key properties of (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine?
(1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine has a molecular weight of 376.51 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-4-phenylpiperidin-4-yl)methanamine is sourced from PubChem (CID 166305257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).