2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol

C22H24ClN3O2S — CID 69092592

IUPAC2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol
SMILESCc1c(-c2nnc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CC[C@@H]2CCO
InChIInChI=1S/C22H24ClN3O2S/c1-12(2)28-20-19(23)10-15(11-24-20)21-25-26-22(29-21)17-6-7-18-14(8-9-27)4-5-16(18)13(17)3/h6-7,10-12,14,27H,4-5,8-9H2,1-3H3/t14-/m1/s1
InChIKeyCFWOZHKUYYUVPH-CQSZACIVSA-N
MW429.97 g/mol
LogP5.43
Rot. Bonds6

About 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol

2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol (PubChem CID 69092592) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol
PubChem CID69092592
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol
SMILESCc1c(-c2nnc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CC[C@@H]2CCO
InChIInChI=1S/C22H24ClN3O2S/c1-12(2)28-20-19(23)10-15(11-24-20)21-25-26-22(29-21)17-6-7-18-14(8-9-27)4-5-16(18)13(17)3/h6-7,10-12,14,27H,4-5,8-9H2,1-3H3/t14-/m1/s1
InChIKeyCFWOZHKUYYUVPH-CQSZACIVSA-N
XLogP5.43
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.97
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol?
The IUPAC name of 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol (CID 69092592) is 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol.
What is the SMILES notation for 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol?
The canonical SMILES for 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol is Cc1c(-c2nnc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CC[C@@H]2CCO.
What is the InChIKey of 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol?
The InChIKey is CFWOZHKUYYUVPH-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-12(2)28-20-19(23)10-15(11-24-20)21-25-26-22(29-21)17-6-7-18-14(8-9-27)4-5-16(18)13(17)3/h6-7,10-12,14,27H,4-5,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol?
2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol has a molecular weight of 429.97 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydro-1H-inden-1-yl]ethanol is sourced from PubChem (CID 69092592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).