(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol

C14H23N3O3S — CID 155496457

IUPAC(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1O
InChIInChI=1S/C14H23N3O3S/c18-10-11-1-2-16(9-13(11)19)8-12-7-15-14(21-12)17-3-5-20-6-4-17/h7,11,13,18-19H,1-6,8-10H2/t11-,13-/m1/s1
InChIKeySFKVZBJPCKTXDK-DGCLKSJQSA-N
MW313.42 g/mol
LogP0.15
Rot. Bonds4

About (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol (PubChem CID 155496457) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
PubChem CID155496457
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1O
InChIInChI=1S/C14H23N3O3S/c18-10-11-1-2-16(9-13(11)19)8-12-7-15-14(21-12)17-3-5-20-6-4-17/h7,11,13,18-19H,1-6,8-10H2/t11-,13-/m1/s1
InChIKeySFKVZBJPCKTXDK-DGCLKSJQSA-N
XLogP0.15
TPSA69.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol 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

(3R,4R)-4-(azepan-1-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 56853466
(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165422199
(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 162625989
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 99936999
2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 98591177
2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45221443
2-benzyl-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]morpholine
CID 45216938
N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 26318359
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 134707152
[4-[[(3R)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97118512
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
CID 70783509

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol (CID 155496457) is (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol is OC[C@H]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol?
The InChIKey is SFKVZBJPCKTXDK-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H23N3O3S/c18-10-11-1-2-16(9-13(11)19)8-12-7-15-14(21-12)17-3-5-20-6-4-17/h7,11,13,18-19H,1-6,8-10H2/t11-,13-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol has a molecular weight of 313.42 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 155496457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).