1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea

C15H21N3O3S — CID 108891699

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NC2=NCCS2)cc1OC
InChIInChI=1S/C15H21N3O3S/c1-3-21-12-5-4-11(10-13(12)20-2)6-7-16-14(19)18-15-17-8-9-22-15/h4-5,10H,3,6-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyYWIIWDPLSNGRBY-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.04
Rot. Bonds6

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea (PubChem CID 108891699) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
PubChem CID108891699
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
SMILESCCOc1ccc(CCNC(=O)NC2=NCCS2)cc1OC
InChIInChI=1S/C15H21N3O3S/c1-3-21-12-5-4-11(10-13(12)20-2)6-7-16-14(19)18-15-17-8-9-22-15/h4-5,10H,3,6-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyYWIIWDPLSNGRBY-UHFFFAOYSA-N
XLogP2.04
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891596
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
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
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
1-(2,5-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891763
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea (CID 108891699) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea is CCOc1ccc(CCNC(=O)NC2=NCCS2)cc1OC.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
The InChIKey is YWIIWDPLSNGRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-21-12-5-4-11(10-13(12)20-2)6-7-16-14(19)18-15-17-8-9-22-15/h4-5,10H,3,6-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea has a molecular weight of 323.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108891699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).