1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea

C6H9N3OS — CID 59293942

IUPAC1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCNC(=O)Nc1ncc(C)s1
InChIInChI=1S/C6H9N3OS/c1-4-3-8-6(11-4)9-5(10)7-2/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyQPGXMSMNZCQLBW-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.20
Rot. Bonds1

About 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea

1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 59293942) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID59293942
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCNC(=O)Nc1ncc(C)s1
InChIInChI=1S/C6H9N3OS/c1-4-3-8-6(11-4)9-5(10)7-2/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyQPGXMSMNZCQLBW-UHFFFAOYSA-N
XLogP1.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 59293942) is 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea is CNC(=O)Nc1ncc(C)s1.
What is the InChIKey of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is QPGXMSMNZCQLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-3-8-6(11-4)9-5(10)7-2/h3H,1-2H3,(H2,7,8,9,10).
What are the key properties of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 171.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59293942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).