[2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

C18H12ClN3O3S — CID 88910734

IUPAC[2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCOc1cc(Cl)ccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12
InChIInChI=1S/C18H12ClN3O3S/c1-24-15-8-11(19)6-7-13(15)17-12-4-2-3-5-14(12)22(21-17)18-20-16(9-26-18)25-10-23/h2-10H,1H3
InChIKeyFQWCWDMCZFETCJ-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.35
Rot. Bonds5

About [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910734) has the molecular formula C18H12ClN3O3S and a molecular weight of 385.83 g/mol. Its IUPAC name is [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910734
Molecular FormulaC18H12ClN3O3S
Molecular Weight385.83 g/mol
Exact Mass385.03
IUPAC Name[2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCOc1cc(Cl)ccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12
InChIInChI=1S/C18H12ClN3O3S/c1-24-15-8-11(19)6-7-13(15)17-12-4-2-3-5-14(12)22(21-17)18-20-16(9-26-18)25-10-23/h2-10H,1H3
InChIKeyFQWCWDMCZFETCJ-UHFFFAOYSA-N
XLogP4.35
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate 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

[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910711
[2-(3-phenyl-6-propoxyindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910772
2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179998
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179933
2-(4-chloro-2-methoxyphenyl)-9-phenylcarbazole
CID 158299157
methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate
CID 59332124
2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179955
2-(4-chlorophenyl)-4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 53082937
(2-methoxy-1,3-thiazol-4-yl) formate
CID 88857718
5-chloro-2-(4-methoxynaphthalen-1-yl)benzaldehyde
CID 66158473
5-chloro-2-fluoro-4-[3-(2-methoxyphenyl)indazol-1-yl]-N-methylsulfonylbenzamide
CID 122458685

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910734) is [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is COc1cc(Cl)ccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12.
What is the InChIKey of [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is FQWCWDMCZFETCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3S/c1-24-15-8-11(19)6-7-13(15)17-12-4-2-3-5-14(12)22(21-17)18-20-16(9-26-18)25-10-23/h2-10H,1H3.
What are the key properties of [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 385.83 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-chloro-2-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).