2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol

C19H19N3OS — CID 133477231

IUPAC2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol
SMILESOC(CNc1nnc(C2CC2)s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N3OS/c23-17(12-20-19-22-21-18(24-19)16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17,23H,10-12H2,(H,20,22)
InChIKeyBQYFKKAEGPNIGJ-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.23
Rot. Bonds6

About 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol

2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol (PubChem CID 133477231) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol
PubChem CID133477231
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol
SMILESOC(CNc1nnc(C2CC2)s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19N3OS/c23-17(12-20-19-22-21-18(24-19)16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17,23H,10-12H2,(H,20,22)
InChIKeyBQYFKKAEGPNIGJ-UHFFFAOYSA-N
XLogP4.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol 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 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol (CID 133477231) is 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol is OC(CNc1nnc(C2CC2)s1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol?
The InChIKey is BQYFKKAEGPNIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-17(12-20-19-22-21-18(24-19)16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-17,23H,10-12H2,(H,20,22).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol?
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol has a molecular weight of 337.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 133477231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).