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

C12H15N3S — CID 86815162

IUPACN-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCN(CCc1ccncc1)Cc1cncs1
InChIInChI=1S/C12H15N3S/c1-15(9-12-8-14-10-16-12)7-4-11-2-5-13-6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3
InChIKeyYZXQEKCITVAEEI-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.21
Rot. Bonds5

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

N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 86815162) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID86815162
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCN(CCc1ccncc1)Cc1cncs1
InChIInChI=1S/C12H15N3S/c1-15(9-12-8-14-10-16-12)7-4-11-2-5-13-6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3
InChIKeyYZXQEKCITVAEEI-UHFFFAOYSA-N
XLogP2.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110852596
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N'-methyl-N-propan-2-yl-N'-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 112640882
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
3-[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918686
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine
CID 74231773
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 39160003
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 86815162) is N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine is CN(CCc1ccncc1)Cc1cncs1.
What is the InChIKey of N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is YZXQEKCITVAEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-15(9-12-8-14-10-16-12)7-4-11-2-5-13-6-3-11/h2-3,5-6,8,10H,4,7,9H2,1H3.
What are the key properties of N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 86815162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).