2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol

C18H28N4OS — CID 51104609

IUPAC2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCCCCc1nc(CN2CCC(c3ccnn3CCO)CC2)cs1
InChIInChI=1S/C18H28N4OS/c1-2-3-4-18-20-16(14-24-18)13-21-9-6-15(7-10-21)17-5-8-19-22(17)11-12-23/h5,8,14-15,23H,2-4,6-7,9-13H2,1H3
InChIKeyITHPCDCPOUCEOB-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.05
Rot. Bonds8

About 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104609) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104609
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESCCCCc1nc(CN2CCC(c3ccnn3CCO)CC2)cs1
InChIInChI=1S/C18H28N4OS/c1-2-3-4-18-20-16(14-24-18)13-21-9-6-15(7-10-21)17-5-8-19-22(17)11-12-23/h5,8,14-15,23H,2-4,6-7,9-13H2,1H3
InChIKeyITHPCDCPOUCEOB-UHFFFAOYSA-N
XLogP3.05
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
2-[5-[1-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 94814243
2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104601
1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110020463
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
1-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56826401
[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94163832
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
CID 110913158
N-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55648577
(2S)-2-[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51941289
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104609) is 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is CCCCc1nc(CN2CCC(c3ccnn3CCO)CC2)cs1.
What is the InChIKey of 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is ITHPCDCPOUCEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-2-3-4-18-20-16(14-24-18)13-21-9-6-15(7-10-21)17-5-8-19-22(17)11-12-23/h5,8,14-15,23H,2-4,6-7,9-13H2,1H3.
What are the key properties of 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 348.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).