(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol

C18H24N4OS — CID 124886104

IUPAC(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
SMILESCc1nnc(N2CCC(NC[C@@]3(O)CCc4ccccc43)CC2)s1
InChIInChI=1S/C18H24N4OS/c1-13-20-21-17(24-13)22-10-7-15(8-11-22)19-12-18(23)9-6-14-4-2-3-5-16(14)18/h2-5,15,19,23H,6-12H2,1H3/t18-/m0/s1
InChIKeyXZPQSKRBYQQYEH-SFHVURJKSA-N
MW344.48 g/mol
LogP2.24
Rot. Bonds4

About (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol

(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol (PubChem CID 124886104) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
PubChem CID124886104
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol
SMILESCc1nnc(N2CCC(NC[C@@]3(O)CCc4ccccc43)CC2)s1
InChIInChI=1S/C18H24N4OS/c1-13-20-21-17(24-13)22-10-7-15(8-11-22)19-12-18(23)9-6-14-4-2-3-5-16(14)18/h2-5,15,19,23H,6-12H2,1H3/t18-/m0/s1
InChIKeyXZPQSKRBYQQYEH-SFHVURJKSA-N
XLogP2.24
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol 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 (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol (CID 124886104) is (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol is Cc1nnc(N2CCC(NC[C@@]3(O)CCc4ccccc43)CC2)s1.
What is the InChIKey of (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol?
The InChIKey is XZPQSKRBYQQYEH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-20-21-17(24-13)22-10-7-15(8-11-22)19-12-18(23)9-6-14-4-2-3-5-16(14)18/h2-5,15,19,23H,6-12H2,1H3/t18-/m0/s1.
What are the key properties of (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol?
(1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol has a molecular weight of 344.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 124886104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).