N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H24N2O3S — CID 114366119

IUPACN-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(OC)CCOCC2)nc1COC
InChIInChI=1S/C14H24N2O3S/c1-4-15-9-12-11(10-17-2)16-13(20-12)14(18-3)5-7-19-8-6-14/h15H,4-10H2,1-3H3
InChIKeyMMPCPFWLCRBPKR-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.05
Rot. Bonds7

About N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114366119) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114366119
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(OC)CCOCC2)nc1COC
InChIInChI=1S/C14H24N2O3S/c1-4-15-9-12-11(10-17-2)16-13(20-12)14(18-3)5-7-19-8-6-14/h15H,4-10H2,1-3H3
InChIKeyMMPCPFWLCRBPKR-UHFFFAOYSA-N
XLogP2.05
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366222
N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366160
N-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 116778150
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441943
1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363491
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 107509875
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
N-[[2-(3,3-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510218
N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440618
[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361367
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510302

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114366119) is N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2(OC)CCOCC2)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MMPCPFWLCRBPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-15-9-12-11(10-17-2)16-13(20-12)14(18-3)5-7-19-8-6-14/h15H,4-10H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 300.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114366119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).