[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

C14H26N2O4S — CID 107511117

IUPAC[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCCOCCN(CCOCC)c1nc(COC)c(CO)s1
InChIInChI=1S/C14H26N2O4S/c1-4-19-8-6-16(7-9-20-5-2)14-15-12(11-18-3)13(10-17)21-14/h17H,4-11H2,1-3H3
InChIKeyNEOHFFGKFXELKO-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.66
Rot. Bonds12

About [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol

[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 107511117) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID107511117
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCCOCCN(CCOCC)c1nc(COC)c(CO)s1
InChIInChI=1S/C14H26N2O4S/c1-4-19-8-6-16(7-9-20-5-2)14-15-12(11-18-3)13(10-17)21-14/h17H,4-11H2,1-3H3
InChIKeyNEOHFFGKFXELKO-UHFFFAOYSA-N
XLogP1.66
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(methoxymethyl)-2-[methyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 107510871
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 82943286
N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 82943284
5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
CID 107510117
[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510895
[2-[cyclohexyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510864
[2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510960
[4-(methoxymethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510918
N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509684
[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511017
4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 80687134
5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine
CID 82952969

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 107511117) is [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is CCOCCN(CCOCC)c1nc(COC)c(CO)s1.
What is the InChIKey of [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NEOHFFGKFXELKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-4-19-8-6-16(7-9-20-5-2)14-15-12(11-18-3)13(10-17)21-14/h17H,4-11H2,1-3H3.
What are the key properties of [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 318.44 g/mol, XLogP of 1.66, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 107511117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).