1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C14H17N3O2S — CID 86842157

IUPAC1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCOc1cccc(NC(=O)NCc2cnc(C)s2)c1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12-6-4-5-11(7-12)17-14(18)16-9-13-8-15-10(2)20-13/h4-8H,3,9H2,1-2H3,(H2,16,17,18)
InChIKeyKRKJYECOGIHUNT-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.17
Rot. Bonds5

About 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86842157) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86842157
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCOc1cccc(NC(=O)NCc2cnc(C)s2)c1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12-6-4-5-11(7-12)17-14(18)16-9-13-8-15-10(2)20-13/h4-8H,3,9H2,1-2H3,(H2,16,17,18)
InChIKeyKRKJYECOGIHUNT-UHFFFAOYSA-N
XLogP3.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 61481423
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842053
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841700
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86842157) is 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is CCOc1cccc(NC(=O)NCc2cnc(C)s2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is KRKJYECOGIHUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-19-12-6-4-5-11(7-12)17-14(18)16-9-13-8-15-10(2)20-13/h4-8H,3,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 291.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86842157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).