2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde

C13H22N2OS — CID 62765926

IUPAC2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCCN(CC)c1nc(CCC)c(C=O)s1
InChIInChI=1S/C13H22N2OS/c1-4-7-9-15(6-3)13-14-11(8-5-2)12(10-16)17-13/h10H,4-9H2,1-3H3
InChIKeyRYQVTBYCTRODAN-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.53
Rot. Bonds8

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

2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765926) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765926
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCCN(CC)c1nc(CCC)c(C=O)s1
InChIInChI=1S/C13H22N2OS/c1-4-7-9-15(6-3)13-14-11(8-5-2)12(10-16)17-13/h10H,4-9H2,1-3H3
InChIKeyRYQVTBYCTRODAN-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.53
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-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764746
N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514625
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63513910
2-[butyl(ethyl)amino]-4-[4-(hydroxymethyl)-2,6-dimethylphenyl]-1,3-thiazole-5-carbaldehyde
CID 90213651
2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde
CID 118654121
4-tert-butyl-2-[ethyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 55112984
2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764542
2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013
5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine
CID 62764857
[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 102998072
2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
CID 62765945

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde (CID 62765926) is 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde is CCCCN(CC)c1nc(CCC)c(C=O)s1.
What is the InChIKey of 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is RYQVTBYCTRODAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-7-9-15(6-3)13-14-11(8-5-2)12(10-16)17-13/h10H,4-9H2,1-3H3.
What are the key properties of 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 254.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).