[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

C14H25N3O2S — CID 103540379

IUPAC[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(C)c1nc(N2CC(OC)C(OC)C2)sc1CN
InChIInChI=1S/C14H25N3O2S/c1-5-9(2)13-12(6-15)20-14(16-13)17-7-10(18-3)11(8-17)19-4/h9-11H,5-8,15H2,1-4H3
InChIKeyVKKDDBOITCQPML-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.97
Rot. Bonds6

About [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 103540379) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID103540379
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(C)c1nc(N2CC(OC)C(OC)C2)sc1CN
InChIInChI=1S/C14H25N3O2S/c1-5-9(2)13-12(6-15)20-14(16-13)17-7-10(18-3)11(8-17)19-4/h9-11H,5-8,15H2,1-4H3
InChIKeyVKKDDBOITCQPML-UHFFFAOYSA-N
XLogP1.97
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 102968522
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 102968507
[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540374
[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540681
[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 130548510
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 103540244
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103540376
(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 79395608
1-[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102968508
[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79392675
[2-(2,6-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 62766514
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564

Frequently Asked Questions

What is the IUPAC name of [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 103540379) is [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCC(C)c1nc(N2CC(OC)C(OC)C2)sc1CN.
What is the InChIKey of [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VKKDDBOITCQPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-9(2)13-12(6-15)20-14(16-13)17-7-10(18-3)11(8-17)19-4/h9-11H,5-8,15H2,1-4H3.
What are the key properties of [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 299.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103540379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).