1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea

C13H15N3O2S — CID 22669284

IUPAC1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea
SMILESCN(C(N)=O)c1nc(CCc2ccc(O)cc2)cs1
InChIInChI=1S/C13H15N3O2S/c1-16(12(14)18)13-15-10(8-19-13)5-2-9-3-6-11(17)7-4-9/h3-4,6-8,17H,2,5H2,1H3,(H2,14,18)
InChIKeyBKZZNGLOKFLIKE-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea

1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea (PubChem CID 22669284) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea
PubChem CID22669284
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea
SMILESCN(C(N)=O)c1nc(CCc2ccc(O)cc2)cs1
InChIInChI=1S/C13H15N3O2S/c1-16(12(14)18)13-15-10(8-19-13)5-2-9-3-6-11(17)7-4-9/h3-4,6-8,17H,2,5H2,1H3,(H2,14,18)
InChIKeyBKZZNGLOKFLIKE-UHFFFAOYSA-N
XLogP2.15
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide
CID 86791470
N-[4-[2-[4-[2-[amino(carbamoyl)amino]ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87182634
N-[4-[2-[4-[[amino(dimethylamino)methylidene]amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 71525142
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 58112094
4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate
CID 42638414
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
3-[2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486744
4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol
CID 69317380
methyl 3-[2-[methyl(2-phenylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040420
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62798218
O-methyl N-[2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]ethyl]-N-aminocarbamothioate;hydroiodide
CID 87596945

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea?
The IUPAC name of 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea (CID 22669284) is 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea.
What is the SMILES notation for 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea?
The canonical SMILES for 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea is CN(C(N)=O)c1nc(CCc2ccc(O)cc2)cs1.
What is the InChIKey of 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea?
The InChIKey is BKZZNGLOKFLIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(12(14)18)13-15-10(8-19-13)5-2-9-3-6-11(17)7-4-9/h3-4,6-8,17H,2,5H2,1H3,(H2,14,18).
What are the key properties of 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea?
1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea has a molecular weight of 277.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea is sourced from PubChem (CID 22669284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).