(1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol

C18H17N3O2S2 — CID 25362098

IUPAC(1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cccc(Nc2nnc(S[C@@H]3Cc4ccccc4[C@H]3O)s2)c1
InChIInChI=1S/C18H17N3O2S2/c1-23-13-7-4-6-12(10-13)19-17-20-21-18(25-17)24-15-9-11-5-2-3-8-14(11)16(15)22/h2-8,10,15-16,22H,9H2,1H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyGFTYDNGXSOUZTH-HZPDHXFCSA-N
MW371.49 g/mol
LogP4.04
Rot. Bonds5

About (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol

(1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 25362098) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID25362098
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name(1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cccc(Nc2nnc(S[C@@H]3Cc4ccccc4[C@H]3O)s2)c1
InChIInChI=1S/C18H17N3O2S2/c1-23-13-7-4-6-12(10-13)19-17-20-21-18(25-17)24-15-9-11-5-2-3-8-14(11)16(15)22/h2-8,10,15-16,22H,9H2,1H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyGFTYDNGXSOUZTH-HZPDHXFCSA-N
XLogP4.04
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-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,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol (CID 25362098) is (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol is COc1cccc(Nc2nnc(S[C@@H]3Cc4ccccc4[C@H]3O)s2)c1.
What is the InChIKey of (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is GFTYDNGXSOUZTH-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-23-13-7-4-6-12(10-13)19-17-20-21-18(25-17)24-15-9-11-5-2-3-8-14(11)16(15)22/h2-8,10,15-16,22H,9H2,1H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol?
(1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 371.49 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 25362098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).