[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone

C13H22N4O2S — CID 107396563

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2sc(N(C)C)nc2N)C1
InChIInChI=1S/C13H22N4O2S/c1-13(19-4)6-5-7-17(8-13)11(18)9-10(14)15-12(20-9)16(2)3/h5-8,14H2,1-4H3
InChIKeyRAJWRLKOWXBYTQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.43
Rot. Bonds3

About [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107396563) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107396563
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2sc(N(C)C)nc2N)C1
InChIInChI=1S/C13H22N4O2S/c1-13(19-4)6-5-7-17(8-13)11(18)9-10(14)15-12(20-9)16(2)3/h5-8,14H2,1-4H3
InChIKeyRAJWRLKOWXBYTQ-UHFFFAOYSA-N
XLogP1.43
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396564
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4,4-dimethylazepan-1-yl)methanone
CID 116667195
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103359055
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666684
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666687
(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390298
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394925
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396067
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 116666571
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 116667002
(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394147
[3-amino-4-(dimethylamino)phenyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390317

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107396563) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2sc(N(C)C)nc2N)C1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is RAJWRLKOWXBYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-13(19-4)6-5-7-17(8-13)11(18)9-10(14)15-12(20-9)16(2)3/h5-8,14H2,1-4H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 298.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107396563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).