N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

C12H15N3S — CID 80709978

IUPACN-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2nccs2)nc1
InChIInChI=1S/C12H15N3S/c1-9-3-4-11(15-7-9)8-14-10(2)12-13-5-6-16-12/h3-7,10,14H,8H2,1-2H3
InChIKeyWVJYCQDEWFRGSK-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds4

About N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 80709978) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID80709978
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2nccs2)nc1
InChIInChI=1S/C12H15N3S/c1-9-3-4-11(15-7-9)8-14-10(2)12-13-5-6-16-12/h3-7,10,14H,8H2,1-2H3
InChIKeyWVJYCQDEWFRGSK-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

(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 114172177
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66385278
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114326972
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63600035
N-[(5-methyl-2-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 71969191
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80711317
(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 80709978) is N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is Cc1ccc(CNC(C)c2nccs2)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is WVJYCQDEWFRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-3-4-11(15-7-9)8-14-10(2)12-13-5-6-16-12/h3-7,10,14H,8H2,1-2H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-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-[(5-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 80709978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).