4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde

C12H20N2O2S — CID 107509121

IUPAC4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCC(C)(C)N(C)c1nc(COC)c(C=O)s1
InChIInChI=1S/C12H20N2O2S/c1-6-12(2,3)14(4)11-13-9(8-16-5)10(7-15)17-11/h7H,6,8H2,1-5H3
InChIKeyMVHSXSHWJXQYDL-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.73
Rot. Bonds6

About 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde

4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 107509121) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID107509121
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCC(C)(C)N(C)c1nc(COC)c(C=O)s1
InChIInChI=1S/C12H20N2O2S/c1-6-12(2,3)14(4)11-13-9(8-16-5)10(7-15)17-11/h7H,6,8H2,1-5H3
InChIKeyMVHSXSHWJXQYDL-UHFFFAOYSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
2-[cycloheptyl(methyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508985
4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107508982
2-(4-ethyl-N-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509033
2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508965
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509002
2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509060
4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 107508949
2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013
2-(N-ethyl-2-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508942
2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
CID 62765945
(E)-3-[2-(dimethylamino)-4-(methoxymethyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82441781

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde (CID 107509121) is 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde is CCC(C)(C)N(C)c1nc(COC)c(C=O)s1.
What is the InChIKey of 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is MVHSXSHWJXQYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-6-12(2,3)14(4)11-13-9(8-16-5)10(7-15)17-11/h7H,6,8H2,1-5H3.
What are the key properties of 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde?
4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 256.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107509121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).