1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea

C22H24N4O2S2 — CID 56510080

IUPAC1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCN(C(=O)c3csc(-c4ccsc4)n3)C2)cc1
InChIInChI=1S/C22H24N4O2S2/c1-15-4-6-18(7-5-15)24-22(28)23-11-16-3-2-9-26(12-16)21(27)19-14-30-20(25-19)17-8-10-29-13-17/h4-8,10,13-14,16H,2-3,9,11-12H2,1H3,(H2,23,24,28)
InChIKeyJSSJMWNSFIWHHU-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.85
Rot. Bonds5

About 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea

1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea (PubChem CID 56510080) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea
PubChem CID56510080
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC Name1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCN(C(=O)c3csc(-c4ccsc4)n3)C2)cc1
InChIInChI=1S/C22H24N4O2S2/c1-15-4-6-18(7-5-15)24-22(28)23-11-16-3-2-9-26(12-16)21(27)19-14-30-20(25-19)17-8-10-29-13-17/h4-8,10,13-14,16H,2-3,9,11-12H2,1H3,(H2,23,24,28)
InChIKeyJSSJMWNSFIWHHU-UHFFFAOYSA-N
XLogP4.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549382
1-(4-methylphenyl)-3-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]urea
CID 52523350
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398069
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119395928
1-(4-methylphenyl)-3-[[(3R)-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]urea
CID 52513508
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394984
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
3-[[(4-methylphenyl)carbamoylamino]methyl]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 166183031
1-(4-methylphenyl)-3-[[1-(piperidine-4-carbonyl)piperidin-3-yl]methyl]urea
CID 119310828
[3-(methylaminomethyl)piperidin-1-yl]-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119397277
(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549349
(3,4-dihydroxypyrrolidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 106671715

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea (CID 56510080) is 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea is Cc1ccc(NC(=O)NCC2CCCN(C(=O)c3csc(-c4ccsc4)n3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea?
The InChIKey is JSSJMWNSFIWHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-15-4-6-18(7-5-15)24-22(28)23-11-16-3-2-9-26(12-16)21(27)19-14-30-20(25-19)17-8-10-29-13-17/h4-8,10,13-14,16H,2-3,9,11-12H2,1H3,(H2,23,24,28).
What are the key properties of 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea?
1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea has a molecular weight of 440.59 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea is sourced from PubChem (CID 56510080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).