4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C13H19N5OS2 — CID 116665962

About 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116665962) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 116665962
• Molecular Formula: C13H19N5OS2
• Molecular Weight: 325.46 g/mol
• Exact Mass: 325.10
• IUPAC Name: 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CCN(C)c1nc(N)c(C(=O)NCCc2nc(C)cs2)s1
• InChI: InChI=1S/C13H19N5OS2/c1-4-18(3)13-17-11(14)10(21-13)12(19)15-6-5-9-16-8(2)7-20-9/h7H,4-6,14H2,1-3H3,(H,15,19)
• InChIKey: XZVQNEJJEGSQOH-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.46
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116665962) is 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)NCCc2nc(C)cs2)s1.

What is the InChIKey of 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is XZVQNEJJEGSQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-4-18(3)13-17-11(14)10(21-13)12(19)15-6-5-9-16-8(2)7-20-9/h7H,4-6,14H2,1-3H3,(H,15,19).

What are the key properties of 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?

4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).