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

C13H23N3OS — CID 114132035

IUPACN-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine
SMILESCCNC1COCC1CNC(C)(C)c1nccs1
InChIInChI=1S/C13H23N3OS/c1-4-14-11-9-17-8-10(11)7-16-13(2,3)12-15-5-6-18-12/h5-6,10-11,14,16H,4,7-9H2,1-3H3
InChIKeyNWUCIPKQWZEZEO-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.59
Rot. Bonds6

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

N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine (PubChem CID 114132035) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine
PubChem CID114132035
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine
SMILESCCNC1COCC1CNC(C)(C)c1nccs1
InChIInChI=1S/C13H23N3OS/c1-4-14-11-9-17-8-10(11)7-16-13(2,3)12-15-5-6-18-12/h5-6,10-11,14,16H,4,7-9H2,1-3H3
InChIKeyNWUCIPKQWZEZEO-UHFFFAOYSA-N
XLogP1.59
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115630853
N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66259346
N-[(4-ethylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114132011
4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine
CID 66258957
4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxolane-3-carboxamide
CID 114130919
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714669
4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine
CID 66257389
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845069
N-[[4-(ethylamino)oxolan-3-yl]methyl]-1-methylpyrazol-4-amine
CID 103568788
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]aniline
CID 114132033

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine (CID 114132035) is N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine is CCNC1COCC1CNC(C)(C)c1nccs1.
What is the InChIKey of N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine?
The InChIKey is NWUCIPKQWZEZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-14-11-9-17-8-10(11)7-16-13(2,3)12-15-5-6-18-12/h5-6,10-11,14,16H,4,7-9H2,1-3H3.
What are the key properties of N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine?
N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine has a molecular weight of 269.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 114132035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).