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

C16H16N4S — CID 82103434

IUPACN-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
SMILESc1cncc(-c2csc(CCNCc3ccncc3)n2)c1
InChIInChI=1S/C16H16N4S/c1-2-14(11-18-6-1)15-12-21-16(20-15)5-9-19-10-13-3-7-17-8-4-13/h1-4,6-8,11-12,19H,5,9-10H2
InChIKeyDUVNSMXLJUNSOM-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.93
Rot. Bonds6

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

N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82103434) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
PubChem CID82103434
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
SMILESc1cncc(-c2csc(CCNCc3ccncc3)n2)c1
InChIInChI=1S/C16H16N4S/c1-2-14(11-18-6-1)15-12-21-16(20-15)5-9-19-10-13-3-7-17-8-4-13/h1-4,6-8,11-12,19H,5,9-10H2
InChIKeyDUVNSMXLJUNSOM-UHFFFAOYSA-N
XLogP2.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
N-(pyridin-3-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648283
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
4-methoxy-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317708

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine (CID 82103434) is N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine is c1cncc(-c2csc(CCNCc3ccncc3)n2)c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is DUVNSMXLJUNSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-14(11-18-6-1)15-12-21-16(20-15)5-9-19-10-13-3-7-17-8-4-13/h1-4,6-8,11-12,19H,5,9-10H2.
What are the key properties of N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine?
N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 296.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82103434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).