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

C15H21N5O2S — CID 51081119

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(Cc2cc(C)no2)CC1
InChIInChI=1S/C15H21N5O2S/c1-10-8-12(22-17-10)9-19-4-6-20(7-5-19)15(21)13-11(2)18-23-14(13)16-3/h8,16H,4-7,9H2,1-3H3
InChIKeyIOIUYQQNIMALFR-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.75
Rot. Bonds4

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

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 51081119) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID51081119
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(Cc2cc(C)no2)CC1
InChIInChI=1S/C15H21N5O2S/c1-10-8-12(22-17-10)9-19-4-6-20(7-5-19)15(21)13-11(2)18-23-14(13)16-3/h8,16H,4-7,9H2,1-3H3
InChIKeyIOIUYQQNIMALFR-UHFFFAOYSA-N
XLogP1.75
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269599
(2-bromo-5-chlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78849723
(5-amino-2-methylphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120615794
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119399321
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46684613
(5-bromo-2-hydroxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269631

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (CID 51081119) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is CNc1snc(C)c1C(=O)N1CCN(Cc2cc(C)no2)CC1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is IOIUYQQNIMALFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-8-12(22-17-10)9-19-4-6-20(7-5-19)15(21)13-11(2)18-23-14(13)16-3/h8,16H,4-7,9H2,1-3H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 335.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51081119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).