1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea

C20H13N5O2S — CID 141052131

IUPAC1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESN#Cc1ccc2nccc(Oc3ccc(NC(=O)Nc4nccs4)cc3)c2c1
InChIInChI=1S/C20H13N5O2S/c21-12-13-1-6-17-16(11-13)18(7-8-22-17)27-15-4-2-14(3-5-15)24-19(26)25-20-23-9-10-28-20/h1-11H,(H2,23,24,25,26)
InChIKeyUASYOFLXWNEHHU-UHFFFAOYSA-N
MW387.42 g/mol
LogP5.00
Rot. Bonds4

About 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea

1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 141052131) has the molecular formula C20H13N5O2S and a molecular weight of 387.42 g/mol. Its IUPAC name is 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID141052131
Molecular FormulaC20H13N5O2S
Molecular Weight387.42 g/mol
Exact Mass387.08
IUPAC Name1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESN#Cc1ccc2nccc(Oc3ccc(NC(=O)Nc4nccs4)cc3)c2c1
InChIInChI=1S/C20H13N5O2S/c21-12-13-1-6-17-16(11-13)18(7-8-22-17)27-15-4-2-14(3-5-15)24-19(26)25-20-23-9-10-28-20/h1-11H,(H2,23,24,25,26)
InChIKeyUASYOFLXWNEHHU-UHFFFAOYSA-N
XLogP5.00
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 87308076
1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732941
sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate
CID 23711331
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 22637146
1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 88925883
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
1-[4-[6-cyano-7-(2-hydroperoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 89337862
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 88925602
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22936843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea (CID 141052131) is 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea is N#Cc1ccc2nccc(Oc3ccc(NC(=O)Nc4nccs4)cc3)c2c1.
What is the InChIKey of 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is UASYOFLXWNEHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2S/c21-12-13-1-6-17-16(11-13)18(7-8-22-17)27-15-4-2-14(3-5-15)24-19(26)25-20-23-9-10-28-20/h1-11H,(H2,23,24,25,26).
What are the key properties of 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 387.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 141052131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).