1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

C17H22N4O4S2 — CID 56568082

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCS(=O)(=O)N1CCCC(NC(=O)Nc2cccc(OCc3cscn3)c2)C1
InChIInChI=1S/C17H22N4O4S2/c1-27(23,24)21-7-3-5-14(9-21)20-17(22)19-13-4-2-6-16(8-13)25-10-15-11-26-12-18-15/h2,4,6,8,11-12,14H,3,5,7,9-10H2,1H3,(H2,19,20,22)
InChIKeyGVVUIBGFURQVKN-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.27
Rot. Bonds6

About 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea

1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (PubChem CID 56568082) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
PubChem CID56568082
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCS(=O)(=O)N1CCCC(NC(=O)Nc2cccc(OCc3cscn3)c2)C1
InChIInChI=1S/C17H22N4O4S2/c1-27(23,24)21-7-3-5-14(9-21)20-17(22)19-13-4-2-6-16(8-13)25-10-15-11-26-12-18-15/h2,4,6,8,11-12,14H,3,5,7,9-10H2,1H3,(H2,19,20,22)
InChIKeyGVVUIBGFURQVKN-UHFFFAOYSA-N
XLogP2.27
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea with MolForge

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Related Compounds

1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
1-(3-ethynylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 95193485
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43061762
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56567793
1-(1-methylsulfonylpiperidin-3-yl)-3-(4-methylthiophen-3-yl)urea
CID 136516934
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
(6S)-6-methyl-1,1-dioxo-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-1,4-thiazepane-4-carboxamide
CID 129347329
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
4-(oxolane-2-carbonyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56568213
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
1-(1,3-benzodioxol-5-yl)-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779230

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea (CID 56568082) is 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is CS(=O)(=O)N1CCCC(NC(=O)Nc2cccc(OCc3cscn3)c2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The InChIKey is GVVUIBGFURQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-27(23,24)21-7-3-5-14(9-21)20-17(22)19-13-4-2-6-16(8-13)25-10-15-11-26-12-18-15/h2,4,6,8,11-12,14H,3,5,7,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea has a molecular weight of 410.52 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 56568082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).