N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine

C11H13N3S — CID 62543899

IUPACN-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
SMILESCNCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H13N3S/c1-12-6-4-11-14-10(8-15-11)9-3-2-5-13-7-9/h2-3,5,7-8,12H,4,6H2,1H3
InChIKeyLITBXBIGLVKSBX-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.97
Rot. Bonds4

About N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine

N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine (PubChem CID 62543899) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
PubChem CID62543899
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
SMILESCNCCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H13N3S/c1-12-6-4-11-14-10(8-15-11)9-3-2-5-13-7-9/h2-3,5,7-8,12H,4,6H2,1H3
InChIKeyLITBXBIGLVKSBX-UHFFFAOYSA-N
XLogP1.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 82103434
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254
4-methoxy-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317708
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine (CID 62543899) is N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine is CNCCc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is LITBXBIGLVKSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-12-6-4-11-14-10(8-15-11)9-3-2-5-13-7-9/h2-3,5,7-8,12H,4,6H2,1H3.
What are the key properties of N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 219.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62543899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).