1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine

C13H23N3S — CID 116884662

IUPAC1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1nc(C2CCCN(C)C2)sc1CC(C)N
InChIInChI=1S/C13H23N3S/c1-9(14)7-12-10(2)15-13(17-12)11-5-4-6-16(3)8-11/h9,11H,4-8,14H2,1-3H3
InChIKeyWLBDIQFSXFCIEW-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.15
Rot. Bonds3

About 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine

1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 116884662) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID116884662
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1nc(C2CCCN(C)C2)sc1CC(C)N
InChIInChI=1S/C13H23N3S/c1-9(14)7-12-10(2)15-13(17-12)11-5-4-6-16(3)8-11/h9,11H,4-8,14H2,1-3H3
InChIKeyWLBDIQFSXFCIEW-UHFFFAOYSA-N
XLogP2.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884663
2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 116886675
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 131297673
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876745
3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887238
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116891409
5-methyl-4-[(3R)-1-methylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 177161274
3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884746
3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884905
2-methyl-3-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884844
N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 112681681

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 116884662) is 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine is Cc1nc(C2CCCN(C)C2)sc1CC(C)N.
What is the InChIKey of 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is WLBDIQFSXFCIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(14)7-12-10(2)15-13(17-12)11-5-4-6-16(3)8-11/h9,11H,4-8,14H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 116884662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).