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

C14H17N3OS — CID 32524444

IUPAC1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCc2ccccc2)cs1
InChIInChI=1S/C14H17N3OS/c1-11-17-13(10-19-11)7-8-15-14(18)16-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H2,15,16,18)
InChIKeyCZYFLFMANGYACU-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.49
Rot. Bonds5

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

1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 32524444) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID32524444
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCc2ccccc2)cs1
InChIInChI=1S/C14H17N3OS/c1-11-17-13(10-19-11)7-8-15-14(18)16-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H2,15,16,18)
InChIKeyCZYFLFMANGYACU-UHFFFAOYSA-N
XLogP2.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 32524444) is 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NCc2ccccc2)cs1.
What is the InChIKey of 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is CZYFLFMANGYACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11-17-13(10-19-11)7-8-15-14(18)16-9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 275.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 32524444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).