(3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol

C17H23N3O2S — CID 95897802

IUPAC(3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol
SMILESCOc1ccccc1-c1ncc(CNC[C@]2(O)CCCNC2)s1
InChIInChI=1S/C17H23N3O2S/c1-22-15-6-3-2-5-14(15)16-20-10-13(23-16)9-19-12-17(21)7-4-8-18-11-17/h2-3,5-6,10,18-19,21H,4,7-9,11-12H2,1H3/t17-/m0/s1
InChIKeyIUUWWQNDHMVJQQ-KRWDZBQOSA-N
MW333.46 g/mol
LogP2.02
Rot. Bonds6

About (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol

(3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol (PubChem CID 95897802) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol
PubChem CID95897802
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol
SMILESCOc1ccccc1-c1ncc(CNC[C@]2(O)CCCNC2)s1
InChIInChI=1S/C17H23N3O2S/c1-22-15-6-3-2-5-14(15)16-20-10-13(23-16)9-19-12-17(21)7-4-8-18-11-17/h2-3,5-6,10,18-19,21H,4,7-9,11-12H2,1H3/t17-/m0/s1
InChIKeyIUUWWQNDHMVJQQ-KRWDZBQOSA-N
XLogP2.02
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 115091896
1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111382420
(3S)-3-[[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methylamino]methyl]piperidin-3-ol
CID 95894243
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82303207
1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 63931851
1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 111974624
(3R)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-3-ol
CID 95867584
1-ethyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 126429384
(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
CID 126447621
3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride
CID 154893802
2-(3-fluoro-4-hydroxyphenyl)-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 137345174

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol?
The IUPAC name of (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol (CID 95897802) is (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol is COc1ccccc1-c1ncc(CNC[C@]2(O)CCCNC2)s1.
What is the InChIKey of (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol?
The InChIKey is IUUWWQNDHMVJQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-22-15-6-3-2-5-14(15)16-20-10-13(23-16)9-19-12-17(21)7-4-8-18-11-17/h2-3,5-6,10,18-19,21H,4,7-9,11-12H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol?
(3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol has a molecular weight of 333.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]methyl]piperidin-3-ol is sourced from PubChem (CID 95897802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).