1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea

C17H27N5O2S — CID 18152913

IUPAC1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
SMILESO=C(NCCC(=O)N1CCN(c2nccs2)CC1)NC1CCCCC1
InChIInChI=1S/C17H27N5O2S/c23-15(6-7-18-16(24)20-14-4-2-1-3-5-14)21-9-11-22(12-10-21)17-19-8-13-25-17/h8,13-14H,1-7,9-12H2,(H2,18,20,24)
InChIKeyXAGSDYFFKLDDEG-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.81
Rot. Bonds5

About 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea

1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea (PubChem CID 18152913) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
PubChem CID18152913
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
SMILESO=C(NCCC(=O)N1CCN(c2nccs2)CC1)NC1CCCCC1
InChIInChI=1S/C17H27N5O2S/c23-15(6-7-18-16(24)20-14-4-2-1-3-5-14)21-9-11-22(12-10-21)17-19-8-13-25-17/h8,13-14H,1-7,9-12H2,(H2,18,20,24)
InChIKeyXAGSDYFFKLDDEG-UHFFFAOYSA-N
XLogP1.81
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea with MolForge

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Related Compounds

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4-(methylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one
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1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
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N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
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(3aR,7aS)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea (CID 18152913) is 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea is O=C(NCCC(=O)N1CCN(c2nccs2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea?
The InChIKey is XAGSDYFFKLDDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c23-15(6-7-18-16(24)20-14-4-2-1-3-5-14)21-9-11-22(12-10-21)17-19-8-13-25-17/h8,13-14H,1-7,9-12H2,(H2,18,20,24).
What are the key properties of 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea?
1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea has a molecular weight of 365.50 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea is sourced from PubChem (CID 18152913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).