2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde

C14H15ClN2OS — CID 62983529

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)C(C)c2ccc(Cl)cc2)sc1C=O
InChIInChI=1S/C14H15ClN2OS/c1-9-13(8-18)19-14(16-9)17(3)10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3
InChIKeyVIUQCKMBPALRHP-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.11
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde

2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62983529) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62983529
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)C(C)c2ccc(Cl)cc2)sc1C=O
InChIInChI=1S/C14H15ClN2OS/c1-9-13(8-18)19-14(16-9)17(3)10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3
InChIKeyVIUQCKMBPALRHP-UHFFFAOYSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.11
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-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62983529) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(N(C)C(C)c2ccc(Cl)cc2)sc1C=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VIUQCKMBPALRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-13(8-18)19-14(16-9)17(3)10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde?
2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 294.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62983529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).