1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine

C11H13N3S — CID 62758658

IUPAC1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCC(NCc1cncs1)c1ccncc1
InChIInChI=1S/C11H13N3S/c1-9(10-2-4-12-5-3-10)14-7-11-6-13-8-15-11/h2-6,8-9,14H,7H2,1H3
InChIKeyAHUNGTDWQMEIPW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.39
Rot. Bonds4

About 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine

1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 62758658) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID62758658
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCC(NCc1cncs1)c1ccncc1
InChIInChI=1S/C11H13N3S/c1-9(10-2-4-12-5-3-10)14-7-11-6-13-8-15-11/h2-6,8-9,14H,7H2,1H3
InChIKeyAHUNGTDWQMEIPW-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732234
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760002
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 62758658) is 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine is CC(NCc1cncs1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is AHUNGTDWQMEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-9(10-2-4-12-5-3-10)14-7-11-6-13-8-15-11/h2-6,8-9,14H,7H2,1H3.
What are the key properties of 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 62758658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).