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

C14H16N2S — CID 2059129

IUPAC4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2ccc(C)cc2C)cs1
InChIInChI=1S/C14H16N2S/c1-4-7-15-14-16-13(9-17-14)12-6-5-10(2)8-11(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,15,16)
InChIKeyAVLFDUJZGYZRDK-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.02
Rot. Bonds4

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

4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 2059129) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID2059129
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2ccc(C)cc2C)cs1
InChIInChI=1S/C14H16N2S/c1-4-7-15-14-16-13(9-17-14)12-6-5-10(2)8-11(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,15,16)
InChIKeyAVLFDUJZGYZRDK-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine (CID 2059129) is 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(-c2ccc(C)cc2C)cs1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is AVLFDUJZGYZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-4-7-15-14-16-13(9-17-14)12-6-5-10(2)8-11(12)3/h4-6,8-9H,1,7H2,2-3H3,(H,15,16).
What are the key properties of 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 244.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2059129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).