N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine

C13H23N3OS — CID 62433830

IUPACN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
SMILESCCNCc1nc(CN(C)C2CCOCC2)cs1
InChIInChI=1S/C13H23N3OS/c1-3-14-8-13-15-11(10-18-13)9-16(2)12-4-6-17-7-5-12/h10,12,14H,3-9H2,1-2H3
InChIKeyZZRSPRHXFQCTGU-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.86
Rot. Bonds6

About N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine (PubChem CID 62433830) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
PubChem CID62433830
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
SMILESCCNCc1nc(CN(C)C2CCOCC2)cs1
InChIInChI=1S/C13H23N3OS/c1-3-14-8-13-15-11(10-18-13)9-16(2)12-4-6-17-7-5-12/h10,12,14H,3-9H2,1-2H3
InChIKeyZZRSPRHXFQCTGU-UHFFFAOYSA-N
XLogP1.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
CID 62434020
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441066
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
N-[[4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63705658
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine
CID 62431673
N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558388
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62413200
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62424646
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462365

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine (CID 62433830) is N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine is CCNCc1nc(CN(C)C2CCOCC2)cs1.
What is the InChIKey of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine?
The InChIKey is ZZRSPRHXFQCTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-14-8-13-15-11(10-18-13)9-16(2)12-4-6-17-7-5-12/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine?
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine has a molecular weight of 269.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 62433830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).