1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

C13H22N4O2S — CID 47194288

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC(C)(C)N2CCOCC2)n1
InChIInChI=1S/C13H22N4O2S/c1-10-8-20-12(15-10)16-11(18)14-9-13(2,3)17-4-6-19-7-5-17/h8H,4-7,9H2,1-3H3,(H2,14,15,16,18)
InChIKeyOZYDDOHJQVSWQN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47194288) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47194288
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC(C)(C)N2CCOCC2)n1
InChIInChI=1S/C13H22N4O2S/c1-10-8-20-12(15-10)16-11(18)14-9-13(2,3)17-4-6-19-7-5-17/h8H,4-7,9H2,1-3H3,(H2,14,15,16,18)
InChIKeyOZYDDOHJQVSWQN-UHFFFAOYSA-N
XLogP1.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47194288) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NCC(C)(C)N2CCOCC2)n1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is OZYDDOHJQVSWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10-8-20-12(15-10)16-11(18)14-9-13(2,3)17-4-6-19-7-5-17/h8H,4-7,9H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 298.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47194288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).