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

C13H15N3OS — CID 110748217

IUPAC3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(N(C)C(=O)NCc2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-10-9-18-13(15-10)16(2)12(17)14-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyOBRXVKWBPINULR-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.80
Rot. Bonds3

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

3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 110748217) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID110748217
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(N(C)C(=O)NCc2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-10-9-18-13(15-10)16(2)12(17)14-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyOBRXVKWBPINULR-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea (CID 110748217) is 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(N(C)C(=O)NCc2ccccc2)n1.
What is the InChIKey of 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is OBRXVKWBPINULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-9-18-13(15-10)16(2)12(17)14-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,14,17).
What are the key properties of 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea?
3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 261.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 110748217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).