2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

C16H17FN4OS — CID 24889794

IUPAC2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1nccs1)n1cc2cc(F)ccc2n1
InChIInChI=1S/C16H17FN4OS/c1-10(2)7-14(15(22)19-16-18-5-6-23-16)21-9-11-8-12(17)3-4-13(11)20-21/h3-6,8-10,14H,7H2,1-2H3,(H,18,19,22)
InChIKeyLDMRYFKTIDABJY-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.86
Rot. Bonds5

About 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 24889794) has the molecular formula C16H17FN4OS and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID24889794
Molecular FormulaC16H17FN4OS
Molecular Weight332.40 g/mol
Exact Mass332.11
IUPAC Name2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1nccs1)n1cc2cc(F)ccc2n1
InChIInChI=1S/C16H17FN4OS/c1-10(2)7-14(15(22)19-16-18-5-6-23-16)21-9-11-8-12(17)3-4-13(11)20-21/h3-6,8-10,14H,7H2,1-2H3,(H,18,19,22)
InChIKeyLDMRYFKTIDABJY-UHFFFAOYSA-N
XLogP3.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 24889794) is 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is CC(C)CC(C(=O)Nc1nccs1)n1cc2cc(F)ccc2n1.
What is the InChIKey of 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is LDMRYFKTIDABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4OS/c1-10(2)7-14(15(22)19-16-18-5-6-23-16)21-9-11-8-12(17)3-4-13(11)20-21/h3-6,8-10,14H,7H2,1-2H3,(H,18,19,22).
What are the key properties of 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 332.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroindazol-2-yl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 24889794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).