[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

C15H26N4O3S — CID 97209125

IUPAC[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCCOC[C@H](O)CN1CCN(C(=O)c2c(C)nsc2NC)CC1
InChIInChI=1S/C15H26N4O3S/c1-4-22-10-12(20)9-18-5-7-19(8-6-18)15(21)13-11(2)17-23-14(13)16-3/h12,16,20H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyCKVWOYZZLKIBIU-GFCCVEGCSA-N
MW342.47 g/mol
LogP0.65
Rot. Bonds7

About [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 97209125) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
PubChem CID97209125
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCCOC[C@H](O)CN1CCN(C(=O)c2c(C)nsc2NC)CC1
InChIInChI=1S/C15H26N4O3S/c1-4-22-10-12(20)9-18-5-7-19(8-6-18)15(21)13-11(2)17-23-14(13)16-3/h12,16,20H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyCKVWOYZZLKIBIU-GFCCVEGCSA-N
XLogP0.65
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95759484
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 95613674
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51081119
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 95322537
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 27449003
1-benzothiophen-2-yl-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95613755
(2R)-1-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-methylbutan-1-one
CID 95613768
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 56803163
2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75393963
2-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]thiophene-3-carbonitrile
CID 56803156

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The IUPAC name of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 97209125) is [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CCOC[C@H](O)CN1CCN(C(=O)c2c(C)nsc2NC)CC1.
What is the InChIKey of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The InChIKey is CKVWOYZZLKIBIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-4-22-10-12(20)9-18-5-7-19(8-6-18)15(21)13-11(2)17-23-14(13)16-3/h12,16,20H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 342.47 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 97209125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).