N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine

C13H23N3OS — CID 66259346

IUPACN-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
SMILESCCNC1COCC1CNCCc1nc(C)cs1
InChIInChI=1S/C13H23N3OS/c1-3-15-12-8-17-7-11(12)6-14-5-4-13-16-10(2)9-18-13/h9,11-12,14-15H,3-8H2,1-2H3
InChIKeyKHSSPOQVKTXAAA-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.21
Rot. Bonds7

About N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine

N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine (PubChem CID 66259346) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
PubChem CID66259346
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
SMILESCCNC1COCC1CNCCc1nc(C)cs1
InChIInChI=1S/C13H23N3OS/c1-3-15-12-8-17-7-11(12)6-14-5-4-13-16-10(2)9-18-13/h9,11-12,14-15H,3-8H2,1-2H3
InChIKeyKHSSPOQVKTXAAA-UHFFFAOYSA-N
XLogP1.21
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66259347
N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66256208
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
CID 130727351
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102776004
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclohexan-1-ol
CID 106594624
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028146
3,3-dimethyl-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butane-1,2-diamine
CID 112555997
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257106
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine (CID 66259346) is N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine is CCNC1COCC1CNCCc1nc(C)cs1.
What is the InChIKey of N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine?
The InChIKey is KHSSPOQVKTXAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-15-12-8-17-7-11(12)6-14-5-4-13-16-10(2)9-18-13/h9,11-12,14-15H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine?
N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine has a molecular weight of 269.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 66259346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).