(S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

C18H22N4OS — CID 124739600

IUPAC(S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cccc2nc(N3CCC[C@H]([C@H](O)c4nccn4C)C3)sc12
InChIInChI=1S/C18H22N4OS/c1-12-5-3-7-14-16(12)24-18(20-14)22-9-4-6-13(11-22)15(23)17-19-8-10-21(17)2/h3,5,7-8,10,13,15,23H,4,6,9,11H2,1-2H3/t13-,15-/m0/s1
InChIKeySYKYCBJFMYOLMB-ZFWWWQNUSA-N
MW342.47 g/mol
LogP3.29
Rot. Bonds3

About (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

(S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 124739600) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID124739600
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name(S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1cccc2nc(N3CCC[C@H]([C@H](O)c4nccn4C)C3)sc12
InChIInChI=1S/C18H22N4OS/c1-12-5-3-7-14-16(12)24-18(20-14)22-9-4-6-13(11-22)15(23)17-19-8-10-21(17)2/h3,5,7-8,10,13,15,23H,4,6,9,11H2,1-2H3/t13-,15-/m0/s1
InChIKeySYKYCBJFMYOLMB-ZFWWWQNUSA-N
XLogP3.29
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 125135401
(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol
CID 133384624
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479
[1-(1-chloroisoquinolin-3-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384424
[1-(6-bromoquinolin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384397
[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384627
ethyl 4-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]cinnoline-3-carboxylate
CID 133384542
[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384520
[1-(6-chloroquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384540
(1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol
CID 133384632

Frequently Asked Questions

What is the IUPAC name of (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (CID 124739600) is (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is Cc1cccc2nc(N3CCC[C@H]([C@H](O)c4nccn4C)C3)sc12.
What is the InChIKey of (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is SYKYCBJFMYOLMB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-12-5-3-7-14-16(12)24-18(20-14)22-9-4-6-13(11-22)15(23)17-19-8-10-21(17)2/h3,5,7-8,10,13,15,23H,4,6,9,11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
(S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 342.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(3S)-1-(7-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 124739600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).