4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine

C18H24N4O3S2 — CID 164696475

IUPAC4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESNc1nc(C2(c3ccccc3)CCN(S(=O)(=O)N3CCOCC3)CC2)cs1
InChIInChI=1S/C18H24N4O3S2/c19-17-20-16(14-26-17)18(15-4-2-1-3-5-15)6-8-21(9-7-18)27(23,24)22-10-12-25-13-11-22/h1-5,14H,6-13H2,(H2,19,20)
InChIKeyWYSLSMDZMNFGSA-UHFFFAOYSA-N
MW408.55 g/mol
LogP1.68
Rot. Bonds4

About 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine

4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 164696475) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID164696475
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC Name4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESNc1nc(C2(c3ccccc3)CCN(S(=O)(=O)N3CCOCC3)CC2)cs1
InChIInChI=1S/C18H24N4O3S2/c19-17-20-16(14-26-17)18(15-4-2-1-3-5-15)6-8-21(9-7-18)27(23,24)22-10-12-25-13-11-22/h1-5,14H,6-13H2,(H2,19,20)
InChIKeyWYSLSMDZMNFGSA-UHFFFAOYSA-N
XLogP1.68
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 164696475) is 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine is Nc1nc(C2(c3ccccc3)CCN(S(=O)(=O)N3CCOCC3)CC2)cs1.
What is the InChIKey of 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is WYSLSMDZMNFGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c19-17-20-16(14-26-17)18(15-4-2-1-3-5-15)6-8-21(9-7-18)27(23,24)22-10-12-25-13-11-22/h1-5,14H,6-13H2,(H2,19,20).
What are the key properties of 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine?
4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 408.55 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164696475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).