N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine

C13H17N3S — CID 50975442

IUPACN-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1ccccn1
InChIInChI=1S/C13H17N3S/c1-11-13(17-10-15-11)6-8-16(2)9-12-5-3-4-7-14-12/h3-5,7,10H,6,8-9H2,1-2H3
InChIKeyZLHKAVXKRVSMJG-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 50975442) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID50975442
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1ccccn1
InChIInChI=1S/C13H17N3S/c1-11-13(17-10-15-11)6-8-16(2)9-12-5-3-4-7-14-12/h3-5,7,10H,6,8-9H2,1-2H3
InChIKeyZLHKAVXKRVSMJG-UHFFFAOYSA-N
XLogP2.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63836860
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 131917349
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol
CID 134697759
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72935080
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176502332
2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
CID 78998272
N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide
CID 91830831
4-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]aniline
CID 63843467

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 50975442) is N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine is Cc1ncsc1CCN(C)Cc1ccccn1.
What is the InChIKey of N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is ZLHKAVXKRVSMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-11-13(17-10-15-11)6-8-16(2)9-12-5-3-4-7-14-12/h3-5,7,10H,6,8-9H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine?
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 50975442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).