(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine

C11H13N3S — CID 95366218

IUPAC(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
SMILESC[C@@H](NCc1ccncc1)c1nccs1
InChIInChI=1S/C11H13N3S/c1-9(11-13-6-7-15-11)14-8-10-2-4-12-5-3-10/h2-7,9,14H,8H2,1H3/t9-/m1/s1
InChIKeyZGKCTZUFSUFCMU-SECBINFHSA-N
MW219.31 g/mol
LogP2.39
Rot. Bonds4

About (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine

(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 95366218) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID95366218
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
SMILESC[C@@H](NCc1ccncc1)c1nccs1
InChIInChI=1S/C11H13N3S/c1-9(11-13-6-7-15-11)14-8-10-2-4-12-5-3-10/h2-7,9,14H,8H2,1H3/t9-/m1/s1
InChIKeyZGKCTZUFSUFCMU-SECBINFHSA-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

Analyze (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63600035
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114326972
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
N-[(3-fluoro-4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63867557
1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43769411
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
N-[(3-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612191
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 83235908
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63597926

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine (CID 95366218) is (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine is C[C@@H](NCc1ccncc1)c1nccs1.
What is the InChIKey of (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZGKCTZUFSUFCMU-SECBINFHSA-N. The full InChI is InChI=1S/C11H13N3S/c1-9(11-13-6-7-15-11)14-8-10-2-4-12-5-3-10/h2-7,9,14H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine?
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)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 (1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 95366218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).