4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde

C13H15N3OS — CID 62765593

IUPAC4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N(C)Cc2ccccn2)sc1C=O
InChIInChI=1S/C13H15N3OS/c1-3-11-12(9-17)18-13(15-11)16(2)8-10-6-4-5-7-14-10/h4-7,9H,3,8H2,1-2H3
InChIKeyBFFXLRSWNZVMIR-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.55
Rot. Bonds5

About 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde

4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62765593) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62765593
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N(C)Cc2ccccn2)sc1C=O
InChIInChI=1S/C13H15N3OS/c1-3-11-12(9-17)18-13(15-11)16(2)8-10-6-4-5-7-14-10/h4-7,9H,3,8H2,1-2H3
InChIKeyBFFXLRSWNZVMIR-UHFFFAOYSA-N
XLogP2.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.55
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-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765756
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 107509256
2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514434
1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112508
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765919
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 171329025
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379
3-[2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486329
4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 107508949

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62765593) is 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde is CCc1nc(N(C)Cc2ccccn2)sc1C=O.
What is the InChIKey of 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is BFFXLRSWNZVMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-11-12(9-17)18-13(15-11)16(2)8-10-6-4-5-7-14-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 261.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).