1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea

C11H17N3OS — CID 104588445

IUPAC1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
SMILESO=C(NCc1cncs1)NC1CCCCC1
InChIInChI=1S/C11H17N3OS/c15-11(13-7-10-6-12-8-16-10)14-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,13,14,15)
InChIKeyCLUQUFFHUMESQU-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.28
Rot. Bonds3

About 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea

1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea (PubChem CID 104588445) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
PubChem CID104588445
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
SMILESO=C(NCc1cncs1)NC1CCCCC1
InChIInChI=1S/C11H17N3OS/c15-11(13-7-10-6-12-8-16-10)14-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,13,14,15)
InChIKeyCLUQUFFHUMESQU-UHFFFAOYSA-N
XLogP2.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((2-Chloro-5-thiazolyl)methyl)-N'-methylurea
CID 71372718
1-(1-Cyclopentylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 72106165
1-{4-[(1,3-Thiazol-5-ylmethyl)amino]piperidin-1-yl}ethan-1-one
CID 62758882
1-Cyclohexyl-3-(5-methylthiazol-2-yl)urea
CID 16729615
1-[1-(1,3-Thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one
CID 134789042
3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
CID 134795506
1-(1,3-Thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 104577633
trans-(1R,2R)-2-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 126987712
4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 131067519
3-Cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71889677
1-Propan-2-yl-3-(1,3-thiazol-5-ylmethyl)urea
CID 23548383
1-Methyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 23548412

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea (CID 104588445) is 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea is O=C(NCc1cncs1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea?
The InChIKey is CLUQUFFHUMESQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11(13-7-10-6-12-8-16-10)14-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea?
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea has a molecular weight of 239.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea is sourced from PubChem (CID 104588445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).