4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde

C15H22N2O2S — CID 63918151

IUPAC4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCOCCN(c1nc(C2CC2)c(C=O)s1)C(C)C1CC1
InChIInChI=1S/C15H22N2O2S/c1-10(11-3-4-11)17(7-8-19-2)15-16-14(12-5-6-12)13(9-18)20-15/h9-12H,3-8H2,1-2H3
InChIKeyNWMHXNHHPSTSMF-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.08
Rot. Bonds8

About 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde

4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 63918151) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID63918151
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCOCCN(c1nc(C2CC2)c(C=O)s1)C(C)C1CC1
InChIInChI=1S/C15H22N2O2S/c1-10(11-3-4-11)17(7-8-19-2)15-16-14(12-5-6-12)13(9-18)20-15/h9-12H,3-8H2,1-2H3
InChIKeyNWMHXNHHPSTSMF-UHFFFAOYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)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-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde
CID 63918534
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423992
2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764206
2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
CID 62765094
4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63916238
[4-chloro-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692503
[4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63918393
2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393400
4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde
CID 79482453
4-cyclopropyl-N-(2-methoxyethyl)-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965606
N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 62752730
4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 64545176

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 63918151) is 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde is COCCN(c1nc(C2CC2)c(C=O)s1)C(C)C1CC1.
What is the InChIKey of 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is NWMHXNHHPSTSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(11-3-4-11)17(7-8-19-2)15-16-14(12-5-6-12)13(9-18)20-15/h9-12H,3-8H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 294.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63918151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).