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

C11H13N3S — CID 61280471

IUPACN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(-c2cccnc2)n1
InChIInChI=1S/C11H13N3S/c1-2-12-7-10-8-15-11(14-10)9-4-3-5-13-6-9/h3-6,8,12H,2,7H2,1H3
InChIKeyOUXUIRHOHHGILP-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.31
Rot. Bonds4

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

N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 61280471) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID61280471
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(-c2cccnc2)n1
InChIInChI=1S/C11H13N3S/c1-2-12-7-10-8-15-11(14-10)9-4-3-5-13-6-9/h3-6,8,12H,2,7H2,1H3
InChIKeyOUXUIRHOHHGILP-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyridazin-4-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 165457032
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704
2-(4-propylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770974
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 64717713
2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749070
2-(4-bromophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749094
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
6-chloro-2-methyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 108779955
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 61280471) is N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine is CCNCc1csc(-c2cccnc2)n1.
What is the InChIKey of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is OUXUIRHOHHGILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-12-7-10-8-15-11(14-10)9-4-3-5-13-6-9/h3-6,8,12H,2,7H2,1H3.
What are the key properties of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61280471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).