N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C14H21N7S2 — CID 111600781

About N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111600781) has the molecular formula C14H21N7S2 and a molecular weight of 351.51 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

• Compound Name: N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
• PubChem CID: 111600781
• Molecular Formula: C14H21N7S2
• Molecular Weight: 351.51 g/mol
• Exact Mass: 351.13
• IUPAC Name: N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
• SMILES: CN(C)c1nc(C/N=C(\N)N2CCN(c3nccs3)CC2)cs1
• InChI: InChI=1S/C14H21N7S2/c1-19(2)14-18-11(10-23-14)9-17-12(15)20-4-6-21(7-5-20)13-16-3-8-22-13/h3,8,10H,4-7,9H2,1-2H3,(H2,15,17)
• InChIKey: ORMDEEONJRGUHD-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 73.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.51
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?

The IUPAC name of N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111600781) is N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

What is the SMILES notation for N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?

The canonical SMILES for N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is CN(C)c1nc(C/N=C(\N)N2CCN(c3nccs3)CC2)cs1.

What is the InChIKey of N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?

The InChIKey is ORMDEEONJRGUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7S2/c1-19(2)14-18-11(10-23-14)9-17-12(15)20-4-6-21(7-5-20)13-16-3-8-22-13/h3,8,10H,4-7,9H2,1-2H3,(H2,15,17).

What are the key properties of N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?

N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 351.51 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111600781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).