N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H15N3S — CID 104823153

IUPACN-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc(C)nc2)s1
InChIInChI=1S/C12H15N3S/c1-3-13-7-11-8-15-12(16-11)10-5-4-9(2)14-6-10/h4-6,8,13H,3,7H2,1-2H3
InChIKeyJYDGFFHFPDPRAQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.62
Rot. Bonds4

About N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 104823153) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID104823153
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ccc(C)nc2)s1
InChIInChI=1S/C12H15N3S/c1-3-13-7-11-8-15-12(16-11)10-5-4-9(2)14-6-10/h4-6,8,13H,3,7H2,1-2H3
InChIKeyJYDGFFHFPDPRAQ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107504207
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527
N-[[2-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191242
5-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]-2-methoxyphenol
CID 61282140
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66424484
N-[[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191269
N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62094946
1-cyclopenta-1,4-dien-1-yl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]methanamine
CID 91928151
1-[[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111382420
N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113386044

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 104823153) is N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(-c2ccc(C)nc2)s1.
What is the InChIKey of N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JYDGFFHFPDPRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-13-7-11-8-15-12(16-11)10-5-4-9(2)14-6-10/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 104823153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).