1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C16H21N3O3S — CID 108891596

IUPAC1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C16H21N3O3S/c1-4-22-13-6-5-12(9-14(13)21-3)7-8-17-15(20)19-16-18-11(2)10-23-16/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyJSRCWCPLTJFLKH-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.22
Rot. Bonds7

About 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 108891596) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID108891596
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C16H21N3O3S/c1-4-22-13-6-5-12(9-14(13)21-3)7-8-17-15(20)19-16-18-11(2)10-23-16/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyJSRCWCPLTJFLKH-UHFFFAOYSA-N
XLogP3.22
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891338
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891699
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108725435
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 108891596) is 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is CCOc1ccc(CCNC(=O)Nc2nc(C)cs2)cc1OC.
What is the InChIKey of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is JSRCWCPLTJFLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-22-13-6-5-12(9-14(13)21-3)7-8-17-15(20)19-16-18-11(2)10-23-16/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 335.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 108891596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).