N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine

C20H32N6S2 — CID 6399946

About N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine

N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine (PubChem CID 6399946) has the molecular formula C20H32N6S2 and a molecular weight of 420.65 g/mol. Its IUPAC name is N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine
• PubChem CID: 6399946
• Molecular Formula: C20H32N6S2
• Molecular Weight: 420.65 g/mol
• Exact Mass: 420.21
• IUPAC Name: N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine
• SMILES: CC(=NNC(C)(C)C)c1sc(-c2nc(C)c(C(C)=NNC(C)(C)C)s2)nc1C
• InChI: InChI=1S/C20H32N6S2/c1-11-15(13(3)23-25-19(5,6)7)27-17(21-11)18-22-12(2)16(28-18)14(4)24-26-20(8,9)10/h25-26H,1-10H3
• InChIKey: MFAQJIFLGBBOEF-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.65
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine?

The IUPAC name of N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine (CID 6399946) is N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine.

What is the SMILES notation for N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine?

The canonical SMILES for N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine is CC(=NNC(C)(C)C)c1sc(-c2nc(C)c(C(C)=NNC(C)(C)C)s2)nc1C.

What is the InChIKey of N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine?

The InChIKey is MFAQJIFLGBBOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6S2/c1-11-15(13(3)23-25-19(5,6)7)27-17(21-11)18-22-12(2)16(28-18)14(4)24-26-20(8,9)10/h25-26H,1-10H3.

What are the key properties of N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine?

N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine has a molecular weight of 420.65 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[5-[N-(tert-butylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2-methylpropan-2-amine is sourced from PubChem (CID 6399946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).