ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide

C24H32N6S2 — CID 143660797

About ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide

ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide (PubChem CID 143660797) has the molecular formula C24H32N6S2 and a molecular weight of 468.70 g/mol. Its IUPAC name is ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide.

Molecular Properties

• Compound Name: ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide
• PubChem CID: 143660797
• Molecular Formula: C24H32N6S2
• Molecular Weight: 468.70 g/mol
• Exact Mass: 468.21
• IUPAC Name: ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide
• SMILES: CC.CCCN/C=N/CC1CN=C(c2cc3cccc(N(C)Sc4ccccn4)c3[nH]2)S1
• InChI: InChI=1S/C22H26N6S2.C2H6/c1-3-10-23-15-24-13-17-14-26-22(29-17)18-12-16-7-6-8-19(21(16)27-18)28(2)30-20-9-4-5-11-25-20;1-2/h4-9,11-12,15,17,27H,3,10,13-14H2,1-2H3,(H,23,24);1-2H3
• InChIKey: ULBAVFWTTWJJNG-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 68.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.70
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide?

The IUPAC name of ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide (CID 143660797) is ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide.

What is the SMILES notation for ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide?

The canonical SMILES for ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide is CC.CCCN/C=N/CC1CN=C(c2cc3cccc(N(C)Sc4ccccn4)c3[nH]2)S1.

What is the InChIKey of ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide?

The InChIKey is ULBAVFWTTWJJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6S2.C2H6/c1-3-10-23-15-24-13-17-14-26-22(29-17)18-12-16-7-6-8-19(21(16)27-18)28(2)30-20-9-4-5-11-25-20;1-2/h4-9,11-12,15,17,27H,3,10,13-14H2,1-2H3,(H,23,24);1-2H3.

What are the key properties of ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide?

ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide has a molecular weight of 468.70 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N'-[[2-[7-[methyl(pyridin-2-ylsulfanyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]methyl]-N-propylmethanimidamide is sourced from PubChem (CID 143660797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).