1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C15H26N4O2S — CID 51082357

IUPAC1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCCC(C)(CNC(=O)NCc1nc(C)cs1)N1CCOCC1
InChIInChI=1S/C15H26N4O2S/c1-4-15(3,19-5-7-21-8-6-19)11-17-14(20)16-9-13-18-12(2)10-22-13/h10H,4-9,11H2,1-3H3,(H2,16,17,20)
InChIKeyLEFLSUFUWYLSNH-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.75
Rot. Bonds6

About 1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 51082357) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID51082357
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCCC(C)(CNC(=O)NCc1nc(C)cs1)N1CCOCC1
InChIInChI=1S/C15H26N4O2S/c1-4-15(3,19-5-7-21-8-6-19)11-17-14(20)16-9-13-18-12(2)10-22-13/h10H,4-9,11H2,1-3H3,(H2,16,17,20)
InChIKeyLEFLSUFUWYLSNH-UHFFFAOYSA-N
XLogP1.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.75
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-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 51082357) is 1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is CCC(C)(CNC(=O)NCc1nc(C)cs1)N1CCOCC1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is LEFLSUFUWYLSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-4-15(3,19-5-7-21-8-6-19)11-17-14(20)16-9-13-18-12(2)10-22-13/h10H,4-9,11H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 326.47 g/mol, XLogP of 1.75, 6 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-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 51082357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).