[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea

C12H14N4OS — CID 115928663

IUPAC[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea
SMILESCC(Nc1cccc(NC(N)=O)c1)c1cncs1
InChIInChI=1S/C12H14N4OS/c1-8(11-6-14-7-18-11)15-9-3-2-4-10(5-9)16-12(13)17/h2-8,15H,1H3,(H3,13,16,17)
InChIKeyWJXBMBFOSVRGCE-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.81
Rot. Bonds4

About [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea

[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea (PubChem CID 115928663) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea
PubChem CID115928663
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea
SMILESCC(Nc1cccc(NC(N)=O)c1)c1cncs1
InChIInChI=1S/C12H14N4OS/c1-8(11-6-14-7-18-11)15-9-3-2-4-10(5-9)16-12(13)17/h2-8,15H,1H3,(H3,13,16,17)
InChIKeyWJXBMBFOSVRGCE-UHFFFAOYSA-N
XLogP2.81
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 115928799
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452
1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917295
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
[3-[1-(2-hydroxy-4-methylphenyl)ethylamino]phenyl]urea
CID 43744448
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826
[3-(1-cyclopropylethylamino)phenyl]urea
CID 43744613
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
CID 43790841
[3-(methylamino)phenyl]urea
CID 23558981

Frequently Asked Questions

What is the IUPAC name of [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea?
The IUPAC name of [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea (CID 115928663) is [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea.
What is the SMILES notation for [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea?
The canonical SMILES for [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea is CC(Nc1cccc(NC(N)=O)c1)c1cncs1.
What is the InChIKey of [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea?
The InChIKey is WJXBMBFOSVRGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8(11-6-14-7-18-11)15-9-3-2-4-10(5-9)16-12(13)17/h2-8,15H,1H3,(H3,13,16,17).
What are the key properties of [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea?
[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea has a molecular weight of 262.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea is sourced from PubChem (CID 115928663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).