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

C15H19N3OS — CID 82103423

IUPACN-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine
SMILESc1ccc(-c2csc(CCNCC3CCCO3)n2)nc1
InChIInChI=1S/C15H19N3OS/c1-2-7-17-13(5-1)14-11-20-15(18-14)6-8-16-10-12-4-3-9-19-12/h1-2,5,7,11-12,16H,3-4,6,8-10H2
InChIKeyACIVNXOPNDYVRO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.52
Rot. Bonds6

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

N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82103423) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine
PubChem CID82103423
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine
SMILESc1ccc(-c2csc(CCNCC3CCCO3)n2)nc1
InChIInChI=1S/C15H19N3OS/c1-2-7-17-13(5-1)14-11-20-15(18-14)6-8-16-10-12-4-3-9-19-12/h1-2,5,7,11-12,16H,3-4,6,8-10H2
InChIKeyACIVNXOPNDYVRO-UHFFFAOYSA-N
XLogP2.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.52
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-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 82102804
2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 126837098
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102961
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119882610
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine (CID 82103423) is N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine is c1ccc(-c2csc(CCNCC3CCCO3)n2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ACIVNXOPNDYVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-7-17-13(5-1)14-11-20-15(18-14)6-8-16-10-12-4-3-9-19-12/h1-2,5,7,11-12,16H,3-4,6,8-10H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine?
N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82103423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).