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

C17H17N3S — CID 64717713

IUPACN-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1nc(-c2cccnc2)sc1-c1ccccc1
InChIInChI=1S/C17H17N3S/c1-2-18-12-15-16(13-7-4-3-5-8-13)21-17(20-15)14-9-6-10-19-11-14/h3-11,18H,2,12H2,1H3
InChIKeyDGBXCFLFTHYHMH-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.98
Rot. Bonds5

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

N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 64717713) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID64717713
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1nc(-c2cccnc2)sc1-c1ccccc1
InChIInChI=1S/C17H17N3S/c1-2-18-12-15-16(13-7-4-3-5-8-13)21-17(20-15)14-9-6-10-19-11-14/h3-11,18H,2,12H2,1H3
InChIKeyDGBXCFLFTHYHMH-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
CID 64717715
N-[(5-phenyl-2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 64717716
ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
CID 178171856
N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 64715192
N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
CID 65138467
4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431731
N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
CID 116730641
N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428693
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64716452
4-benzyl-2,5-diphenyl-1,3-thiazole
CID 46862429

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 64717713) is N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine is CCNCc1nc(-c2cccnc2)sc1-c1ccccc1.
What is the InChIKey of N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is DGBXCFLFTHYHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-18-12-15-16(13-7-4-3-5-8-13)21-17(20-15)14-9-6-10-19-11-14/h3-11,18H,2,12H2,1H3.
What are the key properties of N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 295.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 64717713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).