5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide

C24H21FN6O2S — CID 66628785

IUPAC5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide
SMILESCOc1cc(F)c(C(=O)Nc2csc(-c3nncn3C3CC3)n2)cc1-c1ccc(C2CC2)nc1
InChIInChI=1S/C24H21FN6O2S/c1-33-20-9-18(25)17(8-16(20)14-4-7-19(26-10-14)13-2-3-13)23(32)28-21-11-34-24(29-21)22-30-27-12-31(22)15-5-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,28,32)
InChIKeyUQBUEUQVGWVNKV-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.08
Rot. Bonds7

About 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide

5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide (PubChem CID 66628785) has the molecular formula C24H21FN6O2S and a molecular weight of 476.54 g/mol. Its IUPAC name is 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound Name5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide
PubChem CID66628785
Molecular FormulaC24H21FN6O2S
Molecular Weight476.54 g/mol
Exact Mass476.14
IUPAC Name5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide
SMILESCOc1cc(F)c(C(=O)Nc2csc(-c3nncn3C3CC3)n2)cc1-c1ccc(C2CC2)nc1
InChIInChI=1S/C24H21FN6O2S/c1-33-20-9-18(25)17(8-16(20)14-4-7-19(26-10-14)13-2-3-13)23(32)28-21-11-34-24(29-21)22-30-27-12-31(22)15-5-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,28,32)
InChIKeyUQBUEUQVGWVNKV-UHFFFAOYSA-N
XLogP5.08
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide (CID 66628785) is 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide is COc1cc(F)c(C(=O)Nc2csc(-c3nncn3C3CC3)n2)cc1-c1ccc(C2CC2)nc1.
What is the InChIKey of 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide?
The InChIKey is UQBUEUQVGWVNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2S/c1-33-20-9-18(25)17(8-16(20)14-4-7-19(26-10-14)13-2-3-13)23(32)28-21-11-34-24(29-21)22-30-27-12-31(22)15-5-6-15/h4,7-13,15H,2-3,5-6H2,1H3,(H,28,32).
What are the key properties of 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide?
5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide has a molecular weight of 476.54 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropyl-3-pyridinyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 66628785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).