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

C12H17N5OS2 — CID 116665964

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

4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116665964) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 116665964
• Molecular Formula: C12H17N5OS2
• Molecular Weight: 311.44 g/mol
• Exact Mass: 311.09
• IUPAC Name: 4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CCNc1nc(N)c(C(=O)NCCc2nc(C)cs2)s1
• InChI: InChI=1S/C12H17N5OS2/c1-3-14-12-17-10(13)9(20-12)11(18)15-5-4-8-16-7(2)6-19-8/h6H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)
• InChIKey: ZQEVSGSSNKPTGT-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 92.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.44
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116665964) is 4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCCc2nc(C)cs2)s1.

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

The InChIKey is ZQEVSGSSNKPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-3-14-12-17-10(13)9(20-12)11(18)15-5-4-8-16-7(2)6-19-8/h6H,3-5,13H2,1-2H3,(H,14,17)(H,15,18).

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

4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 311.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).