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

C17H17N3S — CID 63242524

IUPACN-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESc1ccc(C(NCCc2nccs2)c2ccncc2)cc1
InChIInChI=1S/C17H17N3S/c1-2-4-14(5-3-1)17(15-6-9-18-10-7-15)20-11-8-16-19-12-13-21-16/h1-7,9-10,12-13,17,20H,8,11H2
InChIKeyRXQQFHJSMIXESE-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.46
Rot. Bonds6

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

N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63242524) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID63242524
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC NameN-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESc1ccc(C(NCCc2nccs2)c2ccncc2)cc1
InChIInChI=1S/C17H17N3S/c1-2-4-14(5-3-1)17(15-6-9-18-10-7-15)20-11-8-16-19-12-13-21-16/h1-7,9-10,12-13,17,20H,8,11H2
InChIKeyRXQQFHJSMIXESE-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 60697579
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
3-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 115971802
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
3-ethoxy-N-[(S)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7273099
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 63241920
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
3-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979
1-(1-benzothiophen-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 114909896
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
3-methoxy-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine;dihydrochloride
CID 45074849

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 63242524) is N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is c1ccc(C(NCCc2nccs2)c2ccncc2)cc1.
What is the InChIKey of N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is RXQQFHJSMIXESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-4-14(5-3-1)17(15-6-9-18-10-7-15)20-11-8-16-19-12-13-21-16/h1-7,9-10,12-13,17,20H,8,11H2.
What are the key properties of N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 295.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63242524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).