N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane

C32H42N2S — CID 156715148

About N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane

N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane (PubChem CID 156715148) has the molecular formula C32H42N2S and a molecular weight of 486.77 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane.

Molecular Properties

• Compound Name: N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane
• PubChem CID: 156715148
• Molecular Formula: C32H42N2S
• Molecular Weight: 486.77 g/mol
• Exact Mass: 486.31
• IUPAC Name: N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane
• SMILES: C#CCN(c1nc(-c2cc(C)c(CC)cc2C)c(C)s1)C(CC1CC1)c1ccc(C)c(C)c1.CC
• InChI: InChI=1S/C30H36N2S.C2H6/c1-8-14-32(28(18-24-11-12-24)26-13-10-19(3)20(4)15-26)30-31-29(23(7)33-30)27-17-21(5)25(9-2)16-22(27)6;1-2/h1,10,13,15-17,24,28H,9,11-12,14,18H2,2-7H3;1-2H3
• InChIKey: IZPZYWKOXPIQRV-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 16.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.77
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane?

The IUPAC name of N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane (CID 156715148) is N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane.

What is the SMILES notation for N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane?

The canonical SMILES for N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane is C#CCN(c1nc(-c2cc(C)c(CC)cc2C)c(C)s1)C(CC1CC1)c1ccc(C)c(C)c1.CC.

What is the InChIKey of N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane?

The InChIKey is IZPZYWKOXPIQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2S.C2H6/c1-8-14-32(28(18-24-11-12-24)26-13-10-19(3)20(4)15-26)30-31-29(23(7)33-30)27-17-21(5)25(9-2)16-22(27)6;1-2/h1,10,13,15-17,24,28H,9,11-12,14,18H2,2-7H3;1-2H3.

What are the key properties of N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane?

N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane has a molecular weight of 486.77 g/mol, XLogP of 8.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]-4-(4-ethyl-2,5-dimethylphenyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 156715148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).