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

C22H24ClN3O2S — CID 69092593

IUPAC2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol
SMILESCc1cccc2c1CC[C@]2(CCO)c1nnc(-c2cnc(OC(C)C)c(Cl)c2)s1
InChIInChI=1S/C22H24ClN3O2S/c1-13(2)28-19-18(23)11-15(12-24-19)20-25-26-21(29-20)22(9-10-27)8-7-16-14(3)5-4-6-17(16)22/h4-6,11-13,27H,7-10H2,1-3H3/t22-/m1/s1
InChIKeySBIFCPRYUWTFBN-JOCHJYFZSA-N
MW429.97 g/mol
LogP4.96
Rot. Bonds6

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

2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol (PubChem CID 69092593) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol
PubChem CID69092593
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol
SMILESCc1cccc2c1CC[C@]2(CCO)c1nnc(-c2cnc(OC(C)C)c(Cl)c2)s1
InChIInChI=1S/C22H24ClN3O2S/c1-13(2)28-19-18(23)11-15(12-24-19)20-25-26-21(29-20)22(9-10-27)8-7-16-14(3)5-4-6-17(16)22/h4-6,11-13,27H,7-10H2,1-3H3/t22-/m1/s1
InChIKeySBIFCPRYUWTFBN-JOCHJYFZSA-N
XLogP4.96
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol?
The IUPAC name of 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol (CID 69092593) is 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol.
What is the SMILES notation for 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol?
The canonical SMILES for 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol is Cc1cccc2c1CC[C@]2(CCO)c1nnc(-c2cnc(OC(C)C)c(Cl)c2)s1.
What is the InChIKey of 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol?
The InChIKey is SBIFCPRYUWTFBN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-13(2)28-19-18(23)11-15(12-24-19)20-25-26-21(29-20)22(9-10-27)8-7-16-14(3)5-4-6-17(16)22/h4-6,11-13,27H,7-10H2,1-3H3/t22-/m1/s1.
What are the key properties of 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol?
2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol has a molecular weight of 429.97 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2,3-dihydroinden-1-yl]ethanol is sourced from PubChem (CID 69092593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).