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

C17H15N3OS — CID 60545932

IUPAC1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C17H15N3OS/c21-17(19-12-13-5-2-1-3-6-13)20-15-8-4-7-14(11-15)16-18-9-10-22-16/h1-11H,12H2,(H2,19,20,21)
InChIKeyPTEZZDKDISFGOG-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.13
Rot. Bonds4

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

1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 60545932) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID60545932
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C17H15N3OS/c21-17(19-12-13-5-2-1-3-6-13)20-15-8-4-7-14(11-15)16-18-9-10-22-16/h1-11H,12H2,(H2,19,20,21)
InChIKeyPTEZZDKDISFGOG-UHFFFAOYSA-N
XLogP4.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545843
2,2-diphenyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 54774183
1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545810
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 56823567
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 144669416
1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545630
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 60545932) is 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea is O=C(NCc1ccccc1)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is PTEZZDKDISFGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-17(19-12-13-5-2-1-3-6-13)20-15-8-4-7-14(11-15)16-18-9-10-22-16/h1-11H,12H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 309.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 60545932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).