1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane

C19H32N4O2S — CID 91342895

IUPAC1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane
SMILESCC.CC(=O)N1CCC(N(C(=O)Nc2nccs2)C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O2S.C2H6/c1-13(22)20-10-7-15(8-11-20)21(14-5-3-2-4-6-14)17(23)19-16-18-9-12-24-16;1-2/h9,12,14-15H,2-8,10-11H2,1H3,(H,18,19,23);1-2H3
InChIKeySVECGZIPXQFNMG-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.35
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane

1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane (PubChem CID 91342895) has the molecular formula C19H32N4O2S and a molecular weight of 380.56 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane
PubChem CID91342895
Molecular FormulaC19H32N4O2S
Molecular Weight380.56 g/mol
Exact Mass380.22
IUPAC Name1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane
SMILESCC.CC(=O)N1CCC(N(C(=O)Nc2nccs2)C2CCCCC2)CC1
InChIInChI=1S/C17H26N4O2S.C2H6/c1-13(22)20-10-7-15(8-11-20)21(14-5-3-2-4-6-14)17(23)19-16-18-9-12-24-16;1-2/h9,12,14-15H,2-8,10-11H2,1H3,(H,18,19,23);1-2H3
InChIKeySVECGZIPXQFNMG-UHFFFAOYSA-N
XLogP4.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane with MolForge

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Related Compounds

1-cyclohexyl-1-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 141119435
1-cycloheptyl-1-[4-[(4-fluorophenoxy)methyl]cyclohexyl]-3-(1,3-thiazol-2-yl)urea
CID 141165523
(5aS,9aR)-N-(1,3-thiazol-2-yl)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxamide
CID 97255258
3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 114278560
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384
2-[cyclohexyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3290729
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane (CID 91342895) is 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane is CC.CC(=O)N1CCC(N(C(=O)Nc2nccs2)C2CCCCC2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane?
The InChIKey is SVECGZIPXQFNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S.C2H6/c1-13(22)20-10-7-15(8-11-20)21(14-5-3-2-4-6-14)17(23)19-16-18-9-12-24-16;1-2/h9,12,14-15H,2-8,10-11H2,1H3,(H,18,19,23);1-2H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane?
1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane has a molecular weight of 380.56 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-1-cyclohexyl-3-(1,3-thiazol-2-yl)urea;ethane is sourced from PubChem (CID 91342895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).