6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide

C18H13FN4OS — CID 58217428

IUPAC6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cn(Cc2ccncc2)c2cc(F)ccc12
InChIInChI=1S/C18H13FN4OS/c19-13-1-2-14-15(17(24)22-18-21-7-8-25-18)11-23(16(14)9-13)10-12-3-5-20-6-4-12/h1-9,11H,10H2,(H,21,22,24)
InChIKeyBLVUOUMNBPWMFT-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.93
Rot. Bonds4

About 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide

6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide (PubChem CID 58217428) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
PubChem CID58217428
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cn(Cc2ccncc2)c2cc(F)ccc12
InChIInChI=1S/C18H13FN4OS/c19-13-1-2-14-15(17(24)22-18-21-7-8-25-18)11-23(16(14)9-13)10-12-3-5-20-6-4-12/h1-9,11H,10H2,(H,21,22,24)
InChIKeyBLVUOUMNBPWMFT-UHFFFAOYSA-N
XLogP3.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The IUPAC name of 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide (CID 58217428) is 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The canonical SMILES for 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide is O=C(Nc1nccs1)c1cn(Cc2ccncc2)c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The InChIKey is BLVUOUMNBPWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-13-1-2-14-15(17(24)22-18-21-7-8-25-18)11-23(16(14)9-13)10-12-3-5-20-6-4-12/h1-9,11H,10H2,(H,21,22,24).
What are the key properties of 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide is sourced from PubChem (CID 58217428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).