formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

C18H19N5O3S — CID 69489387

IUPACformic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2cc(-c3nccs3)ccc12.O=CO
InChIInChI=1S/C17H17N5OS.CH2O2/c1-21-8-12-7-11(21)9-22(12)17(23)15-13-3-2-10(6-14(13)19-20-15)16-18-4-5-24-16;2-1-3/h2-6,11-12H,7-9H2,1H3,(H,19,20);1H,(H,2,3)/t11-,12-;/m0./s1
InChIKeyRLIPFBRLXBFTOZ-FXMYHANSSA-N
MW385.45 g/mol
LogP1.92
Rot. Bonds2

About formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone

formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (PubChem CID 69489387) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.

Molecular Properties

Compound Nameformic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
PubChem CID69489387
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Nameformic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
SMILESCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2cc(-c3nccs3)ccc12.O=CO
InChIInChI=1S/C17H17N5OS.CH2O2/c1-21-8-12-7-11(21)9-22(12)17(23)15-13-3-2-10(6-14(13)19-20-15)16-18-4-5-24-16;2-1-3/h2-6,11-12H,7-9H2,1H3,(H,19,20);1H,(H,2,3)/t11-,12-;/m0./s1
InChIKeyRLIPFBRLXBFTOZ-FXMYHANSSA-N
XLogP1.92
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The IUPAC name of formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone (CID 69489387) is formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone.
What is the SMILES notation for formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The canonical SMILES for formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is CN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2cc(-c3nccs3)ccc12.O=CO.
What is the InChIKey of formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
The InChIKey is RLIPFBRLXBFTOZ-FXMYHANSSA-N. The full InChI is InChI=1S/C17H17N5OS.CH2O2/c1-21-8-12-7-11(21)9-22(12)17(23)15-13-3-2-10(6-14(13)19-20-15)16-18-4-5-24-16;2-1-3/h2-6,11-12H,7-9H2,1H3,(H,19,20);1H,(H,2,3)/t11-,12-;/m0./s1.
What are the key properties of formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone?
formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone has a molecular weight of 385.45 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone is sourced from PubChem (CID 69489387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).