[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol

C17H27N5OS — CID 97286238

IUPAC[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESCc1nn(C)c2nc(N3CCC(N4CCC[C@H](CO)C4)CC3)sc12
InChIInChI=1S/C17H27N5OS/c1-12-15-16(20(2)19-12)18-17(24-15)21-8-5-14(6-9-21)22-7-3-4-13(10-22)11-23/h13-14,23H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyAPUHMDHJTMFCDU-ZDUSSCGKSA-N
MW349.50 g/mol
LogP2.01
Rot. Bonds3

About [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol

[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 97286238) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID97286238
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC Name[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESCc1nn(C)c2nc(N3CCC(N4CCC[C@H](CO)C4)CC3)sc12
InChIInChI=1S/C17H27N5OS/c1-12-15-16(20(2)19-12)18-17(24-15)21-8-5-14(6-9-21)22-7-3-4-13(10-22)11-23/h13-14,23H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyAPUHMDHJTMFCDU-ZDUSSCGKSA-N
XLogP2.01
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97278378
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
CID 72838541
[1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol
CID 176504656
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067
methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate
CID 72940132
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
CID 45191799

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol (CID 97286238) is [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol is Cc1nn(C)c2nc(N3CCC(N4CCC[C@H](CO)C4)CC3)sc12.
What is the InChIKey of [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is APUHMDHJTMFCDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-12-15-16(20(2)19-12)18-17(24-15)21-8-5-14(6-9-21)22-7-3-4-13(10-22)11-23/h13-14,23H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol?
[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 349.50 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 97286238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).