N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

C12H15N3S — CID 114955153

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCc1ccncc1CNC(C)c1cncs1
InChIInChI=1S/C12H15N3S/c1-9-3-4-13-5-11(9)6-15-10(2)12-7-14-8-16-12/h3-5,7-8,10,15H,6H2,1-2H3
InChIKeySJGLASTUYRKODE-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds4

About N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 114955153) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID114955153
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCc1ccncc1CNC(C)c1cncs1
InChIInChI=1S/C12H15N3S/c1-9-3-4-13-5-11(9)6-15-10(2)12-7-14-8-16-12/h3-5,7-8,10,15H,6H2,1-2H3
InChIKeySJGLASTUYRKODE-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114955136
N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103779588
1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 146137266
N-[(3-ethylthiophen-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115727630
2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile
CID 114955540
N-[(4-methyl-3-pyridinyl)methyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 114955084
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115708122
1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 82939347
N-[(5-chloro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115906661
1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699190
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115716558

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 114955153) is N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is Cc1ccncc1CNC(C)c1cncs1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is SJGLASTUYRKODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-3-4-13-5-11(9)6-15-10(2)12-7-14-8-16-12/h3-5,7-8,10,15H,6H2,1-2H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114955153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).