2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

C14H25N3O2S — CID 107509002

IUPAC2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N(CCN(C)C)CC(C)C)sc1C=O
InChIInChI=1S/C14H25N3O2S/c1-11(2)8-17(7-6-16(3)4)14-15-12(10-19-5)13(9-18)20-14/h9,11H,6-8,10H2,1-5H3
InChIKeyAIPZBAHYSOXRCJ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.13
Rot. Bonds9

About 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde

2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107509002) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID107509002
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N(CCN(C)C)CC(C)C)sc1C=O
InChIInChI=1S/C14H25N3O2S/c1-11(2)8-17(7-6-16(3)4)14-15-12(10-19-5)13(9-18)20-14/h9,11H,6-8,10H2,1-5H3
InChIKeyAIPZBAHYSOXRCJ-UHFFFAOYSA-N
XLogP2.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107508982
4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107509121
2-[cycloheptyl(methyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508985
2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509060
2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
CID 62765945
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-[2-(dimethylamino)ethyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393255
4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509950
2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 107509002) is 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is COCc1nc(N(CCN(C)C)CC(C)C)sc1C=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is AIPZBAHYSOXRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)8-17(7-6-16(3)4)14-15-12(10-19-5)13(9-18)20-14/h9,11H,6-8,10H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 299.44 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107509002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).