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

C10H16N2OS — CID 63830252

IUPACN-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1nc(CCNCC2CCOC2)cs1
InChIInChI=1S/C10H16N2OS/c1(10-7-14-8-12-10)3-11-5-9-2-4-13-6-9/h7-9,11H,1-6H2
InChIKeyGIWCOKCJMSNQBY-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.31
Rot. Bonds5

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

N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63830252) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63830252
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1nc(CCNCC2CCOC2)cs1
InChIInChI=1S/C10H16N2OS/c1(10-7-14-8-12-10)3-11-5-9-2-4-13-6-9/h7-9,11H,1-6H2
InChIKeyGIWCOKCJMSNQBY-UHFFFAOYSA-N
XLogP1.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63831696
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829903
6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 79781899
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 103920413
tert-butyl 4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103730250
N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829717
2-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43193588
2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916054
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (CID 63830252) is N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is c1nc(CCNCC2CCOC2)cs1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is GIWCOKCJMSNQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1(10-7-14-8-12-10)3-11-5-9-2-4-13-6-9/h7-9,11H,1-6H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 212.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63830252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).