ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea

C23H33N3O2S — CID 158609396

IUPACethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea
SMILESCC.CC.CC.CNC(=O)Nc1ccc(Oc2ccc(-c3cncs3)cc2)cc1
InChIInChI=1S/C17H15N3O2S.3C2H6/c1-18-17(21)20-13-4-8-15(9-5-13)22-14-6-2-12(3-7-14)16-10-19-11-23-16;3*1-2/h2-11H,1H3,(H2,18,20,21);3*1-2H3
InChIKeyHWQJJKSUPFGTQC-UHFFFAOYSA-N
MW415.60 g/mol
LogP7.43
Rot. Bonds4

About ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea

ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea (PubChem CID 158609396) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea.

Molecular Properties

Compound Nameethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea
PubChem CID158609396
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC Nameethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea
SMILESCC.CC.CC.CNC(=O)Nc1ccc(Oc2ccc(-c3cncs3)cc2)cc1
InChIInChI=1S/C17H15N3O2S.3C2H6/c1-18-17(21)20-13-4-8-15(9-5-13)22-14-6-2-12(3-7-14)16-10-19-11-23-16;3*1-2/h2-11H,1H3,(H2,18,20,21);3*1-2H3
InChIKeyHWQJJKSUPFGTQC-UHFFFAOYSA-N
XLogP7.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.60
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea
CID 57210374
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea
CID 54303648
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea?
The IUPAC name of ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea (CID 158609396) is ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea.
What is the SMILES notation for ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea?
The canonical SMILES for ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea is CC.CC.CC.CNC(=O)Nc1ccc(Oc2ccc(-c3cncs3)cc2)cc1.
What is the InChIKey of ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea?
The InChIKey is HWQJJKSUPFGTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S.3C2H6/c1-18-17(21)20-13-4-8-15(9-5-13)22-14-6-2-12(3-7-14)16-10-19-11-23-16;3*1-2/h2-11H,1H3,(H2,18,20,21);3*1-2H3.
What are the key properties of ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea?
ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea has a molecular weight of 415.60 g/mol, XLogP of 7.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[4-[4-(1,3-thiazol-5-yl)phenoxy]phenyl]urea is sourced from PubChem (CID 158609396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).