2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

C19H22FN5OS — CID 24890126

IUPAC2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cc(F)ccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1
InChIInChI=1S/C19H22FN5OS/c20-13-6-7-15-14(11-13)17(21)25(24-15)16(10-12-4-2-1-3-5-12)18(26)23-19-22-8-9-27-19/h6-9,11-12,16H,1-5,10,21H2,(H,22,23,26)
InChIKeyUISHPRVQTQZZCO-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.36
Rot. Bonds5

About 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 24890126) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID24890126
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC Name2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cc(F)ccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1
InChIInChI=1S/C19H22FN5OS/c20-13-6-7-15-14(11-13)17(21)25(24-15)16(10-12-4-2-1-3-5-12)18(26)23-19-22-8-9-27-19/h6-9,11-12,16H,1-5,10,21H2,(H,22,23,26)
InChIKeyUISHPRVQTQZZCO-UHFFFAOYSA-N
XLogP4.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (CID 24890126) is 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is Nc1c2cc(F)ccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UISHPRVQTQZZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c20-13-6-7-15-14(11-13)17(21)25(24-15)16(10-12-4-2-1-3-5-12)18(26)23-19-22-8-9-27-19/h6-9,11-12,16H,1-5,10,21H2,(H,22,23,26).
What are the key properties of 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 387.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24890126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).