1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea

C19H18ClN3O2S — CID 51131972

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCC(NC(=O)Nc1ccccc1OCc1cscn1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2S/c1-13(14-5-4-6-15(20)9-14)22-19(24)23-17-7-2-3-8-18(17)25-10-16-11-26-12-21-16/h2-9,11-13H,10H2,1H3,(H2,22,23,24)
InChIKeyYIFPIEKYGAZOTB-UHFFFAOYSA-N
MW387.89 g/mol
LogP5.26
Rot. Bonds6

About 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea

1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea (PubChem CID 51131972) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea
PubChem CID51131972
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea
SMILESCC(NC(=O)Nc1ccccc1OCc1cscn1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2S/c1-13(14-5-4-6-15(20)9-14)22-19(24)23-17-7-2-3-8-18(17)25-10-16-11-26-12-21-16/h2-9,11-13H,10H2,1H3,(H2,22,23,24)
InChIKeyYIFPIEKYGAZOTB-UHFFFAOYSA-N
XLogP5.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.89
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
(Z)-3-(2-chlorophenyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]but-2-enamide
CID 86883492
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457961
N-[1-(3-acetamidophenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46580477
1-[1-(4-sulfamoylphenyl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56567767
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N'-(2-ethyl-1-thiophen-2-ylbutyl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]oxamide
CID 86876918
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea (CID 51131972) is 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea is CC(NC(=O)Nc1ccccc1OCc1cscn1)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
The InChIKey is YIFPIEKYGAZOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13(14-5-4-6-15(20)9-14)22-19(24)23-17-7-2-3-8-18(17)25-10-16-11-26-12-21-16/h2-9,11-13H,10H2,1H3,(H2,22,23,24).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea?
1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea has a molecular weight of 387.89 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea is sourced from PubChem (CID 51131972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).