N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C14H24N2O2S — CID 116774380

IUPACN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC1(c2ncc(CNC(C)C)s2)CCOCC1
InChIInChI=1S/C14H24N2O2S/c1-4-18-14(5-7-17-8-6-14)13-16-10-12(19-13)9-15-11(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyDDTMAZUFHWVEHF-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.68
Rot. Bonds6

About N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116774380) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116774380
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC1(c2ncc(CNC(C)C)s2)CCOCC1
InChIInChI=1S/C14H24N2O2S/c1-4-18-14(5-7-17-8-6-14)13-16-10-12(19-13)9-15-11(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyDDTMAZUFHWVEHF-UHFFFAOYSA-N
XLogP2.68
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116777983
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116774361
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
CID 116775247
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116727622
N-[1-[2-(1-ethoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774538
2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
CID 116782816
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774761
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine
CID 116779233
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116774380) is N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCOC1(c2ncc(CNC(C)C)s2)CCOCC1.
What is the InChIKey of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is DDTMAZUFHWVEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-18-14(5-7-17-8-6-14)13-16-10-12(19-13)9-15-11(2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 284.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116774380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).