1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

C17H12N4O2S — CID 59732941

IUPAC1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESN#Cc1ccc(Oc2ccccc2NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H12N4O2S/c18-11-12-5-7-13(8-6-12)23-15-4-2-1-3-14(15)20-16(22)21-17-19-9-10-24-17/h1-10H,(H2,19,20,21,22)
InChIKeyUMDJRMWXZHKBEP-UHFFFAOYSA-N
MW336.38 g/mol
LogP4.45
Rot. Bonds4

About 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59732941) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59732941
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESN#Cc1ccc(Oc2ccccc2NC(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H12N4O2S/c18-11-12-5-7-13(8-6-12)23-15-4-2-1-3-14(15)20-16(22)21-17-19-9-10-24-17/h1-10H,(H2,19,20,21,22)
InChIKeyUMDJRMWXZHKBEP-UHFFFAOYSA-N
XLogP4.45
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 141052131
N-(2-phenoxyphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694157
1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732942
2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide
CID 59732796
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
(2R)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524467
(2S)-2-(4-cyanophenoxy)-N-(2-phenoxyphenyl)propanamide
CID 26524469
N-[2-(4-cyanophenoxy)phenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 18682227
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732885
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 87308076
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 59732941) is 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is N#Cc1ccc(Oc2ccccc2NC(=O)Nc2nccs2)cc1.
What is the InChIKey of 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is UMDJRMWXZHKBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c18-11-12-5-7-13(8-6-12)23-15-4-2-1-3-14(15)20-16(22)21-17-19-9-10-24-17/h1-10H,(H2,19,20,21,22).
What are the key properties of 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 336.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59732941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).