1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea

C18H22N4O3S — CID 51118775

IUPAC1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H22N4O3S/c1-13-19-11-16(26-13)12-21(2)18(24)20-15-5-3-4-14(10-15)17(23)22-6-8-25-9-7-22/h3-5,10-11H,6-9,12H2,1-2H3,(H,20,24)
InChIKeyZKZDQBHQXISIIU-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.59
Rot. Bonds4

About 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea

1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 51118775) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
PubChem CID51118775
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H22N4O3S/c1-13-19-11-16(26-13)12-21(2)18(24)20-15-5-3-4-14(10-15)17(23)22-6-8-25-9-7-22/h3-5,10-11H,6-9,12H2,1-2H3,(H,20,24)
InChIKeyZKZDQBHQXISIIU-UHFFFAOYSA-N
XLogP2.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea (CID 51118775) is 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea is Cc1ncc(CN(C)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)s1.
What is the InChIKey of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is ZKZDQBHQXISIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-19-11-16(26-13)12-21(2)18(24)20-15-5-3-4-14(10-15)17(23)22-6-8-25-9-7-22/h3-5,10-11H,6-9,12H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 374.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 51118775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).