methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

C25H23N5O2S — CID 158925937

About methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 158925937) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

• Compound Name: methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
• PubChem CID: 158925937
• Molecular Formula: C25H23N5O2S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.16
• IUPAC Name: methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
• SMILES: C.O[C@H]1Cc2ccccc2[C@H]1Nc1nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2s1
• InChI: InChI=1S/C24H19N5O2S.CH4/c30-21-9-14-3-1-2-4-18(14)23(21)29-24-28-19-6-5-16(11-22(19)32-24)31-17-7-8-25-20(10-17)15-12-26-27-13-15;/h1-8,10-13,21,23,30H,9H2,(H,26,27)(H,28,29);1H4/t21-,23+;/m0./s1
• InChIKey: JILCBJHKCFBUEO-ITOBZAKTSA-N
• XLogP: 5.58
• TPSA: 95.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?

The IUPAC name of methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 158925937) is methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.

What is the SMILES notation for methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?

The canonical SMILES for methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is C.O[C@H]1Cc2ccccc2[C@H]1Nc1nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2s1.

What is the InChIKey of methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?

The InChIKey is JILCBJHKCFBUEO-ITOBZAKTSA-N. The full InChI is InChI=1S/C24H19N5O2S.CH4/c30-21-9-14-3-1-2-4-18(14)23(21)29-24-28-19-6-5-16(11-22(19)32-24)31-17-7-8-25-20(10-17)15-12-26-27-13-15;/h1-8,10-13,21,23,30H,9H2,(H,26,27)(H,28,29);1H4/t21-,23+;/m0./s1.

What are the key properties of methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?

methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 457.56 g/mol, XLogP of 5.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(1R,2S)-1-[[6-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 158925937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).