4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol

C19H27N5O2S — CID 167988296

IUPAC4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(NC3CCCN(CCN4CCOCC4)C3)s2)cc1
InChIInChI=1S/C19H27N5O2S/c25-17-5-3-15(4-6-17)18-21-22-19(27-18)20-16-2-1-7-24(14-16)9-8-23-10-12-26-13-11-23/h3-6,16,25H,1-2,7-14H2,(H,20,22)
InChIKeyNRNZTNWIOLCFQS-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.12
Rot. Bonds6

About 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol

4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 167988296) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol
PubChem CID167988296
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(NC3CCCN(CCN4CCOCC4)C3)s2)cc1
InChIInChI=1S/C19H27N5O2S/c25-17-5-3-15(4-6-17)18-21-22-19(27-18)20-16-2-1-7-24(14-16)9-8-23-10-12-26-13-11-23/h3-6,16,25H,1-2,7-14H2,(H,20,22)
InChIKeyNRNZTNWIOLCFQS-UHFFFAOYSA-N
XLogP2.12
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol 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 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol (CID 167988296) is 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol is Oc1ccc(-c2nnc(NC3CCCN(CCN4CCOCC4)C3)s2)cc1.
What is the InChIKey of 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is NRNZTNWIOLCFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c25-17-5-3-15(4-6-17)18-21-22-19(27-18)20-16-2-1-7-24(14-16)9-8-23-10-12-26-13-11-23/h3-6,16,25H,1-2,7-14H2,(H,20,22).
What are the key properties of 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol?
4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 389.53 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 167988296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).