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

C14H16N2OS — CID 62765736

IUPAC4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(CN(C)c2nc(C)c(C=O)s2)cc1
InChIInChI=1S/C14H16N2OS/c1-10-4-6-12(7-5-10)8-16(3)14-15-11(2)13(9-17)18-14/h4-7,9H,8H2,1-3H3
InChIKeyKASSOPKIKOLAKY-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.21
Rot. Bonds4

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

4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62765736) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62765736
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(CN(C)c2nc(C)c(C=O)s2)cc1
InChIInChI=1S/C14H16N2OS/c1-10-4-6-12(7-5-10)8-16(3)14-15-11(2)13(9-17)18-14/h4-7,9H,8H2,1-3H3
InChIKeyKASSOPKIKOLAKY-UHFFFAOYSA-N
XLogP3.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.21
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-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (CID 62765736) is 4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is Cc1ccc(CN(C)c2nc(C)c(C=O)s2)cc1.
What is the InChIKey of 4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is KASSOPKIKOLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-4-6-12(7-5-10)8-16(3)14-15-11(2)13(9-17)18-14/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 260.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).