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

C11H18N4O2S — CID 127575170

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCc1csc(NC(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C11H18N4O2S/c1-9-8-18-11(13-9)14-10(16)12-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyUJBWCVQLYXXOPI-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.91
Rot. Bonds4

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

1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 127575170) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID127575170
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCc1csc(NC(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C11H18N4O2S/c1-9-8-18-11(13-9)14-10(16)12-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyUJBWCVQLYXXOPI-UHFFFAOYSA-N
XLogP0.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea (CID 127575170) is 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea is Cc1csc(NC(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is UJBWCVQLYXXOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-8-18-11(13-9)14-10(16)12-2-3-15-4-6-17-7-5-15/h8H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea?
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 270.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 127575170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).