1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea

C15H21N5O2S — CID 126774726

IUPAC1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea
SMILESCCc1nc(C(C)NC(=O)NC2(c3noc(C)n3)CCC2)cs1
InChIInChI=1S/C15H21N5O2S/c1-4-12-18-11(8-23-12)9(2)16-14(21)19-15(6-5-7-15)13-17-10(3)22-20-13/h8-9H,4-7H2,1-3H3,(H2,16,19,21)
InChIKeyIRNIYURNBMMJIN-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.84
Rot. Bonds5

About 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea

1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea (PubChem CID 126774726) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea.

Molecular Properties

Compound Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea
PubChem CID126774726
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea
SMILESCCc1nc(C(C)NC(=O)NC2(c3noc(C)n3)CCC2)cs1
InChIInChI=1S/C15H21N5O2S/c1-4-12-18-11(8-23-12)9(2)16-14(21)19-15(6-5-7-15)13-17-10(3)22-20-13/h8-9H,4-7H2,1-3H3,(H2,16,19,21)
InChIKeyIRNIYURNBMMJIN-UHFFFAOYSA-N
XLogP2.84
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53579405
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97824198
(1S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 97825504
N'-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)urea
CID 124210569
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine
CID 86801854
1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 53580752
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 53585783
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53587401
1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 53598203
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 53601272
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 53609615
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 53616074

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea?
The IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea (CID 126774726) is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea.
What is the SMILES notation for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea?
The canonical SMILES for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea is CCc1nc(C(C)NC(=O)NC2(c3noc(C)n3)CCC2)cs1.
What is the InChIKey of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea?
The InChIKey is IRNIYURNBMMJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-12-18-11(8-23-12)9(2)16-14(21)19-15(6-5-7-15)13-17-10(3)22-20-13/h8-9H,4-7H2,1-3H3,(H2,16,19,21).
What are the key properties of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea?
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea has a molecular weight of 335.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]urea is sourced from PubChem (CID 126774726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).