[(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H23N3O3S — CID 146138849

IUPAC[(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@H]1CN(CCOC2CCOC2)CCN1C(=O)c1cscn1
InChIInChI=1S/C15H23N3O3S/c1-12-8-17(5-7-21-13-2-6-20-9-13)3-4-18(12)15(19)14-10-22-11-16-14/h10-13H,2-9H2,1H3/t12-,13?/m0/s1
InChIKeyUPOOZFDLMNWVJK-UEWDXFNNSA-N
MW325.43 g/mol
LogP1.09
Rot. Bonds5

About [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 146138849) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID146138849
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name[(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@H]1CN(CCOC2CCOC2)CCN1C(=O)c1cscn1
InChIInChI=1S/C15H23N3O3S/c1-12-8-17(5-7-21-13-2-6-20-9-13)3-4-18(12)15(19)14-10-22-11-16-14/h10-13H,2-9H2,1H3/t12-,13?/m0/s1
InChIKeyUPOOZFDLMNWVJK-UEWDXFNNSA-N
XLogP1.09
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136582472
[(3aS,6aR)-1-[[(3S)-oxolan-3-yl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1,3-thiazol-4-yl)methanone
CID 97459144
N-methyl-4-(1,3-thiazole-4-carbonyl)morpholine-3-carboxamide
CID 83100296
[(3S,5S)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97476020
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146092459
[(3aS,6aR)-1-(oxan-4-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1,3-thiazol-4-yl)methanone
CID 97459148
4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
CID 175658374
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 141115735
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 146138849) is [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is C[C@H]1CN(CCOC2CCOC2)CCN1C(=O)c1cscn1.
What is the InChIKey of [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is UPOOZFDLMNWVJK-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-8-17(5-7-21-13-2-6-20-9-13)3-4-18(12)15(19)14-10-22-11-16-14/h10-13H,2-9H2,1H3/t12-,13?/m0/s1.
What are the key properties of [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 325.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 146138849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).