[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol

C13H23N3OS — CID 97138293

IUPAC[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@@]1(CO)CCCN(Cc2snnc2C)C1
InChIInChI=1S/C13H23N3OS/c1-3-5-13(10-17)6-4-7-16(9-13)8-12-11(2)14-15-18-12/h17H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyZOZNQRWFGNCHIG-CYBMUJFWSA-N
MW269.41 g/mol
LogP2.22
Rot. Bonds5

About [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol

[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 97138293) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID97138293
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@@]1(CO)CCCN(Cc2snnc2C)C1
InChIInChI=1S/C13H23N3OS/c1-3-5-13(10-17)6-4-7-16(9-13)8-12-11(2)14-15-18-12/h17H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyZOZNQRWFGNCHIG-CYBMUJFWSA-N
XLogP2.22
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
CID 70759213
[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97131667
[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol
CID 97122333
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol
CID 97141120
[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
CID 97120592
3-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97127610
[(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
CID 97122545
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
CID 154758210
2-[4-[[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97130334
2-[4-[[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97130335

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol (CID 97138293) is [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol is CCC[C@@]1(CO)CCCN(Cc2snnc2C)C1.
What is the InChIKey of [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is ZOZNQRWFGNCHIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-5-13(10-17)6-4-7-16(9-13)8-12-11(2)14-15-18-12/h17H,3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol?
[(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 269.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(4-methylthiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 97138293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).