[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

C17H17N5OS — CID 154544825

IUPAC[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESCN1CC2C[C@H]1CN2C(=O)c1n[nH]c2ccc(-c3nccs3)cc12
InChIInChI=1S/C17H17N5OS/c1-21-8-12-7-11(21)9-22(12)17(23)15-13-6-10(16-18-4-5-24-16)2-3-14(13)19-20-15/h2-6,11-12H,7-9H2,1H3,(H,19,20)/t11-,12?/m0/s1
InChIKeyRFORUOQBQBHNOM-PXYINDEMSA-N
MW339.42 g/mol
LogP2.21
Rot. Bonds2

About [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (PubChem CID 154544825) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.

Molecular Properties

Compound Name[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
PubChem CID154544825
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESCN1CC2C[C@H]1CN2C(=O)c1n[nH]c2ccc(-c3nccs3)cc12
InChIInChI=1S/C17H17N5OS/c1-21-8-12-7-11(21)9-22(12)17(23)15-13-6-10(16-18-4-5-24-16)2-3-14(13)19-20-15/h2-6,11-12H,7-9H2,1H3,(H,19,20)/t11-,12?/m0/s1
InChIKeyRFORUOQBQBHNOM-PXYINDEMSA-N
XLogP2.21
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The IUPAC name of [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (CID 154544825) is [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.
What is the SMILES notation for [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The canonical SMILES for [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is CN1CC2C[C@H]1CN2C(=O)c1n[nH]c2ccc(-c3nccs3)cc12.
What is the InChIKey of [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The InChIKey is RFORUOQBQBHNOM-PXYINDEMSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21-8-12-7-11(21)9-22(12)17(23)15-13-6-10(16-18-4-5-24-16)2-3-14(13)19-20-15/h2-6,11-12H,7-9H2,1H3,(H,19,20)/t11-,12?/m0/s1.
What are the key properties of [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone has a molecular weight of 339.42 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is sourced from PubChem (CID 154544825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).