4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

C14H18N2OS — CID 8962177

IUPAC4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccc(C)cc2C)cs1
InChIInChI=1S/C14H18N2OS/c1-10-4-5-12(11(2)8-10)13-9-18-14(16-13)15-6-7-17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyDZYNBHHARKGGFK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.49
Rot. Bonds5

About 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 8962177) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID8962177
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccc(C)cc2C)cs1
InChIInChI=1S/C14H18N2OS/c1-10-4-5-12(11(2)8-10)13-9-18-14(16-13)15-6-7-17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyDZYNBHHARKGGFK-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 8962177) is 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is COCCNc1nc(-c2ccc(C)cc2C)cs1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is DZYNBHHARKGGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-4-5-12(11(2)8-10)13-9-18-14(16-13)15-6-7-17-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 8962177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).