4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide

C19H14FN3OS — CID 130362402

IUPAC4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide
SMILESC=Cc1ncc(Cc2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)s1
InChIInChI=1S/C19H14FN3OS/c1-2-16-22-9-10(25-16)7-12-14(20)8-13(19(21)24)18-17(12)11-5-3-4-6-15(11)23-18/h2-6,8-9,23H,1,7H2,(H2,21,24)
InChIKeyRZIZHKJPLKYLSD-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.25
Rot. Bonds4

About 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide

4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide (PubChem CID 130362402) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide
PubChem CID130362402
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide
SMILESC=Cc1ncc(Cc2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)s1
InChIInChI=1S/C19H14FN3OS/c1-2-16-22-9-10(25-16)7-12-14(20)8-13(19(21)24)18-17(12)11-5-3-4-6-15(11)23-18/h2-6,8-9,23H,1,7H2,(H2,21,24)
InChIKeyRZIZHKJPLKYLSD-UHFFFAOYSA-N
XLogP4.25
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide 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 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide (CID 130362402) is 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide is C=Cc1ncc(Cc2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)s1.
What is the InChIKey of 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide?
The InChIKey is RZIZHKJPLKYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-2-16-22-9-10(25-16)7-12-14(20)8-13(19(21)24)18-17(12)11-5-3-4-6-15(11)23-18/h2-6,8-9,23H,1,7H2,(H2,21,24).
What are the key properties of 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide?
4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethenyl-1,3-thiazol-5-yl)methyl]-3-fluoro-9H-carbazole-1-carboxamide is sourced from PubChem (CID 130362402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).