3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C13H15BrN4O2S — CID 132970273

IUPAC3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2cc(Br)cn(C)c2=O)s1
InChIInChI=1S/C13H15BrN4O2S/c1-8-15-5-10(21-8)7-18(3)13(20)16-11-4-9(14)6-17(2)12(11)19/h4-6H,7H2,1-3H3,(H,16,20)
InChIKeyNPIZUMGIUQXBBV-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.58
Rot. Bonds3

About 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 132970273) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID132970273
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC Name3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2cc(Br)cn(C)c2=O)s1
InChIInChI=1S/C13H15BrN4O2S/c1-8-15-5-10(21-8)7-18(3)13(20)16-11-4-9(14)6-17(2)12(11)19/h4-6H,7H2,1-3H3,(H,16,20)
InChIKeyNPIZUMGIUQXBBV-UHFFFAOYSA-N
XLogP2.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 132970273) is 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CN(C)C(=O)Nc2cc(Br)cn(C)c2=O)s1.
What is the InChIKey of 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is NPIZUMGIUQXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c1-8-15-5-10(21-8)7-18(3)13(20)16-11-4-9(14)6-17(2)12(11)19/h4-6H,7H2,1-3H3,(H,16,20).
What are the key properties of 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 371.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 132970273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).