5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

C19H13F2N3OS — CID 25481402

IUPAC5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H13F2N3OS/c20-13-3-1-11(2-4-13)7-15-10-22-19(26-15)24-18(25)17-9-12-8-14(21)5-6-16(12)23-17/h1-6,8-10,23H,7H2,(H,22,24,25)
InChIKeyHRRSZXKWSKIFCV-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.75
Rot. Bonds4

About 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (PubChem CID 25481402) has the molecular formula C19H13F2N3OS and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
PubChem CID25481402
Molecular FormulaC19H13F2N3OS
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H13F2N3OS/c20-13-3-1-11(2-4-13)7-15-10-22-19(26-15)24-18(25)17-9-12-8-14(21)5-6-16(12)23-17/h1-6,8-10,23H,7H2,(H,22,24,25)
InChIKeyHRRSZXKWSKIFCV-UHFFFAOYSA-N
XLogP4.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (CID 25481402) is 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The InChIKey is HRRSZXKWSKIFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3OS/c20-13-3-1-11(2-4-13)7-15-10-22-19(26-15)24-18(25)17-9-12-8-14(21)5-6-16(12)23-17/h1-6,8-10,23H,7H2,(H,22,24,25).
What are the key properties of 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 25481402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).