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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Related Compounds

4-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)sulfonylmorpholine
CID 165423500
4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
CID 165424878
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 165418490
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776
4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
CID 165423145
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 165426837
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
CID 165419680
3-[3-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 165420685
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 166599615
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336

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).