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

C13H23N3S — CID 116884746

IUPAC3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCc1nc(C2CCN(C)CC2)sc1CCCN
InChIInChI=1S/C13H23N3S/c1-10-12(4-3-7-14)17-13(15-10)11-5-8-16(2)9-6-11/h11H,3-9,14H2,1-2H3
InChIKeyMCUVFTCLVPFILP-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.15
Rot. Bonds4

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

3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 116884746) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID116884746
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCc1nc(C2CCN(C)CC2)sc1CCCN
InChIInChI=1S/C13H23N3S/c1-10-12(4-3-7-14)17-13(15-10)11-5-8-16(2)9-6-11/h11H,3-9,14H2,1-2H3
InChIKeyMCUVFTCLVPFILP-UHFFFAOYSA-N
XLogP2.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate
CID 116886348
1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884663
3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884905
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 79154381
4-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885464
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82129972
3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876953
1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884662
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 115337336
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine (CID 116884746) is 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine is Cc1nc(C2CCN(C)CC2)sc1CCCN.
What is the InChIKey of 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is MCUVFTCLVPFILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-12(4-3-7-14)17-13(15-10)11-5-8-16(2)9-6-11/h11H,3-9,14H2,1-2H3.
What are the key properties of 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine?
3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 116884746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).