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

C14H16N2OS — CID 55113031

IUPAC2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCN(Cc1ccccc1)c1nc(C)c(C=O)s1
InChIInChI=1S/C14H16N2OS/c1-3-16(9-12-7-5-4-6-8-12)14-15-11(2)13(10-17)18-14/h4-8,10H,3,9H2,1-2H3
InChIKeyNZDBSFUJCUFLSG-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.29
Rot. Bonds5

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

2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 55113031) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID55113031
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCN(Cc1ccccc1)c1nc(C)c(C=O)s1
InChIInChI=1S/C14H16N2OS/c1-3-16(9-12-7-5-4-6-8-12)14-15-11(2)13(10-17)18-14/h4-8,10H,3,9H2,1-2H3
InChIKeyNZDBSFUJCUFLSG-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764542
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62766259
4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62765736
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64542419
5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 96663376
[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779815
5-(aminomethyl)-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766662
2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62765916
2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde
CID 102389135
N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine
CID 130569182
2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde
CID 155028153

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde (CID 55113031) is 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde is CCN(Cc1ccccc1)c1nc(C)c(C=O)s1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is NZDBSFUJCUFLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-16(9-12-7-5-4-6-8-12)14-15-11(2)13(10-17)18-14/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 260.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55113031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).