2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

C18H11ClFN3OS — CID 30278378

IUPAC2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H11ClFN3OS/c19-14-7-10(20)5-6-12(14)17(24)23-18-22-16(9-25-18)13-8-21-15-4-2-1-3-11(13)15/h1-9,21H,(H,22,23,24)
InChIKeyWTEXQQIKABYFBQ-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.34
Rot. Bonds3

About 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 30278378) has the molecular formula C18H11ClFN3OS and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID30278378
Molecular FormulaC18H11ClFN3OS
Molecular Weight371.82 g/mol
Exact Mass371.03
IUPAC Name2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H11ClFN3OS/c19-14-7-10(20)5-6-12(14)17(24)23-18-22-16(9-25-18)13-8-21-15-4-2-1-3-11(13)15/h1-9,21H,(H,22,23,24)
InChIKeyWTEXQQIKABYFBQ-UHFFFAOYSA-N
XLogP5.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide 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 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide (CID 30278378) is 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WTEXQQIKABYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3OS/c19-14-7-10(20)5-6-12(14)17(24)23-18-22-16(9-25-18)13-8-21-15-4-2-1-3-11(13)15/h1-9,21H,(H,22,23,24).
What are the key properties of 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide?
2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 371.82 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 30278378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).