N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine

C12H15N3S — CID 63280230

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1ncsc1CNC(C)c1ccccn1
InChIInChI=1S/C12H15N3S/c1-9(11-5-3-4-6-13-11)14-7-12-10(2)15-8-16-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyZEHWAXXCMHIHEJ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.70
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 63280230) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID63280230
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1ncsc1CNC(C)c1ccccn1
InChIInChI=1S/C12H15N3S/c1-9(11-5-3-4-6-13-11)14-7-12-10(2)15-8-16-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyZEHWAXXCMHIHEJ-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

(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 164629583
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 84600062
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401866
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401851

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine (CID 63280230) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine is Cc1ncsc1CNC(C)c1ccccn1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is ZEHWAXXCMHIHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9(11-5-3-4-6-13-11)14-7-12-10(2)15-8-16-12/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine 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-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 63280230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).