N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C14H25N3S — CID 113429636

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNC(C)C1CCCN(C)C1)c1nccs1
InChIInChI=1S/C14H25N3S/c1-11(14-15-6-8-18-14)9-16-12(2)13-5-4-7-17(3)10-13/h6,8,11-13,16H,4-5,7,9-10H2,1-3H3
InChIKeySUWXRFXVUQVVLW-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.57
Rot. Bonds5

About N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine

N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 113429636) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID113429636
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNC(C)C1CCCN(C)C1)c1nccs1
InChIInChI=1S/C14H25N3S/c1-11(14-15-6-8-18-14)9-16-12(2)13-5-4-7-17(3)10-13/h6,8,11-13,16H,4-5,7,9-10H2,1-3H3
InChIKeySUWXRFXVUQVVLW-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 104584982
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
N,N-dimethyl-N'-[1-(1-methylpiperidin-3-yl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43308462
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55172444
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913507
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 61215311
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82881755
N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584966
N-[1-(1-propylpiperidin-3-yl)ethyl]-1,3-thiazol-2-amine
CID 79046499

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 113429636) is N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNC(C)C1CCCN(C)C1)c1nccs1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is SUWXRFXVUQVVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(14-15-6-8-18-14)9-16-12(2)13-5-4-7-17(3)10-13/h6,8,11-13,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 113429636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).