3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine

C14H25N3S — CID 116891409

IUPAC3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1csc(C2CCCN(C)C2)n1
InChIInChI=1S/C14H25N3S/c1-10(2)12(7-15)13-9-18-14(16-13)11-5-4-6-17(3)8-11/h9-12H,4-8,15H2,1-3H3
InChIKeyANPABSBJFUDZKD-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.65
Rot. Bonds4

About 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine

3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine (PubChem CID 116891409) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
PubChem CID116891409
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCC(C)C(CN)c1csc(C2CCCN(C)C2)n1
InChIInChI=1S/C14H25N3S/c1-10(2)12(7-15)13-9-18-14(16-13)11-5-4-6-17(3)8-11/h9-12H,4-8,15H2,1-3H3
InChIKeyANPABSBJFUDZKD-UHFFFAOYSA-N
XLogP2.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891384
3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888471
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115087714
methyl 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butanoate
CID 116891451
1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 65415626
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95777671
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 119138147
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
2-(4-aminophenyl)-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 119893107
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine (CID 116891409) is 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine is CC(C)C(CN)c1csc(C2CCCN(C)C2)n1.
What is the InChIKey of 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine?
The InChIKey is ANPABSBJFUDZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)12(7-15)13-9-18-14(16-13)11-5-4-6-17(3)8-11/h9-12H,4-8,15H2,1-3H3.
What are the key properties of 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine?
3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine is sourced from PubChem (CID 116891409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).