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

C14H25N3S — CID 116888471

IUPAC3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCN1CCCC(c2nc(C(C)(C)CCN)cs2)C1
InChIInChI=1S/C14H25N3S/c1-14(2,6-7-15)12-10-18-13(16-12)11-5-4-8-17(3)9-11/h10-11H,4-9,15H2,1-3H3
InChIKeyLBQVSKBDUAZXQU-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.58
Rot. Bonds4

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

3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine (PubChem CID 116888471) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
PubChem CID116888471
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCN1CCCC(c2nc(C(C)(C)CCN)cs2)C1
InChIInChI=1S/C14H25N3S/c1-14(2,6-7-15)12-10-18-13(16-12)11-5-4-8-17(3)9-11/h10-11H,4-9,15H2,1-3H3
InChIKeyLBQVSKBDUAZXQU-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
CID 116888466
3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116891409
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888539
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884905
2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 124575843
1-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 116890832
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 124595799
2-[(3R)-1-(2,2-dimethoxyethyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 99715742
2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile
CID 116890193
methyl 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butanoate
CID 116891451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine (CID 116888471) is 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine is CN1CCCC(c2nc(C(C)(C)CCN)cs2)C1.
What is the InChIKey of 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine?
The InChIKey is LBQVSKBDUAZXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-14(2,6-7-15)12-10-18-13(16-12)11-5-4-8-17(3)9-11/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine?
3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine is sourced from PubChem (CID 116888471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).