[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

C14H22N4O2S — CID 119886786

IUPAC[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCCc1cnc(N2CCN(C(=O)C3CC(O)CN3)CC2)s1
InChIInChI=1S/C14H22N4O2S/c1-2-11-9-16-14(21-11)18-5-3-17(4-6-18)13(20)12-7-10(19)8-15-12/h9-10,12,15,19H,2-8H2,1H3
InChIKeyHLJSSSLFVZGHDR-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.08
Rot. Bonds3

About [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone

[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 119886786) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID119886786
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCCc1cnc(N2CCN(C(=O)C3CC(O)CN3)CC2)s1
InChIInChI=1S/C14H22N4O2S/c1-2-11-9-16-14(21-11)18-5-3-17(4-6-18)13(20)12-7-10(19)8-15-12/h9-10,12,15,19H,2-8H2,1H3
InChIKeyHLJSSSLFVZGHDR-UHFFFAOYSA-N
XLogP0.08
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-aminocyclopentyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 119886774
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methanone
CID 56906672
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120941808
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 60946563
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119864336
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 136528222
2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119875939
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 124683941
(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119886813
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026
(4-hydroxypyrrolidin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 54869715

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone (CID 119886786) is [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is CCc1cnc(N2CCN(C(=O)C3CC(O)CN3)CC2)s1.
What is the InChIKey of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is HLJSSSLFVZGHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-11-9-16-14(21-11)18-5-3-17(4-6-18)13(20)12-7-10(19)8-15-12/h9-10,12,15,19H,2-8H2,1H3.
What are the key properties of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone?
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 119886786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).