4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol

C18H31N3O2S — CID 162890731

IUPAC4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
SMILESCOCC1CCCN1Cc1nc(C2(O)CCN(C(C)C)CC2)cs1
InChIInChI=1S/C18H31N3O2S/c1-14(2)20-9-6-18(22,7-10-20)16-13-24-17(19-16)11-21-8-4-5-15(21)12-23-3/h13-15,22H,4-12H2,1-3H3
InChIKeyXJRMTDQLHFYXCY-UHFFFAOYSA-N
MW353.53 g/mol
LogP2.45
Rot. Bonds6

About 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol

4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol (PubChem CID 162890731) has the molecular formula C18H31N3O2S and a molecular weight of 353.53 g/mol. Its IUPAC name is 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
PubChem CID162890731
Molecular FormulaC18H31N3O2S
Molecular Weight353.53 g/mol
Exact Mass353.21
IUPAC Name4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
SMILESCOCC1CCCN1Cc1nc(C2(O)CCN(C(C)C)CC2)cs1
InChIInChI=1S/C18H31N3O2S/c1-14(2)20-9-6-18(22,7-10-20)16-13-24-17(19-16)11-21-8-4-5-15(21)12-23-3/h13-15,22H,4-12H2,1-3H3
InChIKeyXJRMTDQLHFYXCY-UHFFFAOYSA-N
XLogP2.45
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol
CID 100643793
4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-(2-methylpropyl)piperidin-4-ol
CID 162792981
cyclopropyl-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanone
CID 162918157
1-[(2-fluorophenyl)methyl]-4-[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100626141
1-[4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenylethanone
CID 162966986
4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide
CID 162798235
methyl 3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carboxylate
CID 97054784
1-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100645781
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338047
4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
CID 100646535
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol (CID 162890731) is 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol is COCC1CCCN1Cc1nc(C2(O)CCN(C(C)C)CC2)cs1.
What is the InChIKey of 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol?
The InChIKey is XJRMTDQLHFYXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2S/c1-14(2)20-9-6-18(22,7-10-20)16-13-24-17(19-16)11-21-8-4-5-15(21)12-23-3/h13-15,22H,4-12H2,1-3H3.
What are the key properties of 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol?
4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol has a molecular weight of 353.53 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 162890731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).