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

C13H15N3OS — CID 49470436

IUPAC1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nccs1)NCc1ccccc1
InChIInChI=1S/C13H15N3OS/c17-13(15-7-6-12-14-8-9-18-12)16-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,15,16,17)
InChIKeyAFCWTPOVINPYNY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.18
Rot. Bonds5

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

1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 49470436) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID49470436
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nccs1)NCc1ccccc1
InChIInChI=1S/C13H15N3OS/c17-13(15-7-6-12-14-8-9-18-12)16-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,15,16,17)
InChIKeyAFCWTPOVINPYNY-UHFFFAOYSA-N
XLogP2.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311421
1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 49470389
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
2-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]phenyl]acetic acid
CID 63241030
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
CID 33421608
1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470404

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 49470436) is 1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea is O=C(NCCc1nccs1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is AFCWTPOVINPYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(15-7-6-12-14-8-9-18-12)16-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,15,16,17).
What are the key properties of 1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 261.35 g/mol, XLogP of 2.18, 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-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 49470436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).