1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

C6H9N3O2S — CID 106380590

IUPAC1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESCNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H9N3O2S/c1-7-5(10)8-2-4-3-12-6(11)9-4/h3H,2H2,1H3,(H,9,11)(H2,7,8,10)
InChIKeyNPICTHQNMZSOHE-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.13
Rot. Bonds2

About 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (PubChem CID 106380590) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
PubChem CID106380590
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESCNC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H9N3O2S/c1-7-5(10)8-2-4-3-12-6(11)9-4/h3H,2H2,1H3,(H,9,11)(H2,7,8,10)
InChIKeyNPICTHQNMZSOHE-UHFFFAOYSA-N
XLogP-0.13
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (CID 106380590) is 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is CNC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is NPICTHQNMZSOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-7-5(10)8-2-4-3-12-6(11)9-4/h3H,2H2,1H3,(H,9,11)(H2,7,8,10).
What are the key properties of 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 187.22 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 106380590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).