4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide

C17H28N6O3S — CID 3814940

About 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3814940) has the molecular formula C17H28N6O3S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 3814940
• Molecular Formula: C17H28N6O3S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.19
• IUPAC Name: 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide
• SMILES: CN(C)CCN(CC(=O)NC1CCCCC1)C(=O)c1snc(C(N)=O)c1N
• InChI: InChI=1S/C17H28N6O3S/c1-22(2)8-9-23(10-12(24)20-11-6-4-3-5-7-11)17(26)15-13(18)14(16(19)25)21-27-15/h11H,3-10,18H2,1-2H3,(H2,19,25)(H,20,24)
• InChIKey: MIWMAZWLBXRSRC-UHFFFAOYSA-N
• XLogP: 0.28
• TPSA: 134.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide (CID 3814940) is 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide is CN(C)CCN(CC(=O)NC1CCCCC1)C(=O)c1snc(C(N)=O)c1N.

What is the InChIKey of 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is MIWMAZWLBXRSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3S/c1-22(2)8-9-23(10-12(24)20-11-6-4-3-5-7-11)17(26)15-13(18)14(16(19)25)21-27-15/h11H,3-10,18H2,1-2H3,(H2,19,25)(H,20,24).

What are the key properties of 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 396.52 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-[2-(dimethylamino)ethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3814940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).