4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde

C16H20N2OS — CID 79392692

IUPAC4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(N(C)c2nc(C(C)C)c(C=O)s2)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-10(2)15-14(9-19)20-16(17-15)18(5)13-7-6-11(3)8-12(13)4/h6-10H,1-5H3
InChIKeyPNYGGFMBSJEONF-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.46
Rot. Bonds4

About 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde

4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde (PubChem CID 79392692) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
PubChem CID79392692
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(N(C)c2nc(C(C)C)c(C=O)s2)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-10(2)15-14(9-19)20-16(17-15)18(5)13-7-6-11(3)8-12(13)4/h6-10H,1-5H3
InChIKeyPNYGGFMBSJEONF-UHFFFAOYSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.46
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 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde (CID 79392692) is 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde is Cc1ccc(N(C)c2nc(C(C)C)c(C=O)s2)c(C)c1.
What is the InChIKey of 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is PNYGGFMBSJEONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10(2)15-14(9-19)20-16(17-15)18(5)13-7-6-11(3)8-12(13)4/h6-10H,1-5H3.
What are the key properties of 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde?
4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 288.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79392692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).