N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine

C₁₀H₁₂N₂S₂ — CID 116885891

About N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine

N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine (PubChem CID 116885891) has the molecular formula C₁₀H₁₂N₂S₂ and a molecular weight of 224.35 g/mol. Its IUPAC name is N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine.

Molecular Properties

• Compound Name: N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
• PubChem CID: 116885891
• Molecular Formula: C₁₀H₁₂N₂S₂
• Molecular Weight: 224.35 g/mol
• Exact Mass: 224.04
• IUPAC Name: N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
• SMILES: CNc1sc(-c2sccc2C)nc1C
• InChI: InChI=1S/C10H12N2S2/c1-6-4-5-13-8(6)10-12-7(2)9(11-3)14-10/h4-5,11H,1-3H3
• InChIKey: GMERLZIZAHXRTP-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.35
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine?

The IUPAC name of N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine (CID 116885891) is N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine.

What is the SMILES notation for N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine?

The canonical SMILES for N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine is CNc1sc(-c2sccc2C)nc1C.

What is the InChIKey of N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine?

The InChIKey is GMERLZIZAHXRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-6-4-5-13-8(6)10-12-7(2)9(11-3)14-10/h4-5,11H,1-3H3.

What are the key properties of N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine?

N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine has a molecular weight of 224.35 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 116885891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116885891 — identifiers, structure, computed properties (public domain)

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