1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea

C26H21Cl2FN4O2S — CID 90062938

IUPAC1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea
SMILESCC1(C)CN(c2ccccc2NC(=O)Nc2csc(Cl)n2)c2c(O)cc(F)c(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C26H21Cl2FN4O2S/c1-26(2)13-33(18-6-4-3-5-17(18)30-25(35)32-20-12-36-24(28)31-20)23-19(34)11-16(29)21(22(23)26)14-7-9-15(27)10-8-14/h3-12,34H,13H2,1-2H3,(H2,30,32,35)
InChIKeyYRQZCGUCFMGFJC-UHFFFAOYSA-N
MW543.45 g/mol
LogP8.03
Rot. Bonds4

About 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea

1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea (PubChem CID 90062938) has the molecular formula C26H21Cl2FN4O2S and a molecular weight of 543.45 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea
PubChem CID90062938
Molecular FormulaC26H21Cl2FN4O2S
Molecular Weight543.45 g/mol
Exact Mass542.07
IUPAC Name1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea
SMILESCC1(C)CN(c2ccccc2NC(=O)Nc2csc(Cl)n2)c2c(O)cc(F)c(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C26H21Cl2FN4O2S/c1-26(2)13-33(18-6-4-3-5-17(18)30-25(35)32-20-12-36-24(28)31-20)23-19(34)11-16(29)21(22(23)26)14-7-9-15(27)10-8-14/h3-12,34H,13H2,1-2H3,(H2,30,32,35)
InChIKeyYRQZCGUCFMGFJC-UHFFFAOYSA-N
XLogP8.03
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.45
LogP ≤ 58.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea (CID 90062938) is 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea is CC1(C)CN(c2ccccc2NC(=O)Nc2csc(Cl)n2)c2c(O)cc(F)c(-c3ccc(Cl)cc3)c21.
What is the InChIKey of 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea?
The InChIKey is YRQZCGUCFMGFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2FN4O2S/c1-26(2)13-33(18-6-4-3-5-17(18)30-25(35)32-20-12-36-24(28)31-20)23-19(34)11-16(29)21(22(23)26)14-7-9-15(27)10-8-14/h3-12,34H,13H2,1-2H3,(H2,30,32,35).
What are the key properties of 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea?
1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea has a molecular weight of 543.45 g/mol, XLogP of 8.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-chlorophenyl)-5-fluoro-7-hydroxy-3,3-dimethyl-2H-indol-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 90062938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).