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

C12H20N2O2S — CID 107508982

IUPAC4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N(C)C(C)C(C)C)sc1C=O
InChIInChI=1S/C12H20N2O2S/c1-8(2)9(3)14(4)12-13-10(7-16-5)11(6-15)17-12/h6,8-9H,7H2,1-5H3
InChIKeyZMOVNHCEYDOKDX-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.58
Rot. Bonds6

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

4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 107508982) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID107508982
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N(C)C(C)C(C)C)sc1C=O
InChIInChI=1S/C12H20N2O2S/c1-8(2)9(3)14(4)12-13-10(7-16-5)11(6-15)17-12/h6,8-9H,7H2,1-5H3
InChIKeyZMOVNHCEYDOKDX-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(3-methylbutan-2-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79392686
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
2-[cycloheptyl(methyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508985
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509002
4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107509121
5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 107509861
2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509060
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
4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 107508949
2-(N-ethyl-2-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508942
2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde (CID 107508982) is 4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde is COCc1nc(N(C)C(C)C(C)C)sc1C=O.
What is the InChIKey of 4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZMOVNHCEYDOKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)9(3)14(4)12-13-10(7-16-5)11(6-15)17-12/h6,8-9H,7H2,1-5H3.
What are the key properties of 4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde?
4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 256.37 g/mol, XLogP of 2.58, 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(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107508982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).