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

C19H24N2OS — CID 155028153

IUPAC2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde
SMILESCc1sc(N(CCC2CCCC2)Cc2ccccc2)nc1C=O
InChIInChI=1S/C19H24N2OS/c1-15-18(14-22)20-19(23-15)21(12-11-16-7-5-6-8-16)13-17-9-3-2-4-10-17/h2-4,9-10,14,16H,5-8,11-13H2,1H3
InChIKeyRTPVGXSWPXNMHF-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.85
Rot. Bonds7

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

2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde (PubChem CID 155028153) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde
PubChem CID155028153
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde
SMILESCc1sc(N(CCC2CCCC2)Cc2ccccc2)nc1C=O
InChIInChI=1S/C19H24N2OS/c1-15-18(14-22)20-19(23-15)21(12-11-16-7-5-6-8-16)13-17-9-3-2-4-10-17/h2-4,9-10,14,16H,5-8,11-13H2,1H3
InChIKeyRTPVGXSWPXNMHF-UHFFFAOYSA-N
XLogP4.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde (CID 155028153) is 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde is Cc1sc(N(CCC2CCCC2)Cc2ccccc2)nc1C=O.
What is the InChIKey of 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is RTPVGXSWPXNMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-18(14-22)20-19(23-15)21(12-11-16-7-5-6-8-16)13-17-9-3-2-4-10-17/h2-4,9-10,14,16H,5-8,11-13H2,1H3.
What are the key properties of 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde?
2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 328.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-cyclopentylethyl)amino]-5-methyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 155028153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).