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

C13H17N5OS2 — CID 116665966

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

4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116665966) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 116665966
• Molecular Formula: C13H17N5OS2
• Molecular Weight: 323.45 g/mol
• Exact Mass: 323.09
• IUPAC Name: 4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1csc(CCNC(=O)c2sc(NC3CC3)nc2N)n1
• InChI: InChI=1S/C13H17N5OS2/c1-7-6-20-9(16-7)4-5-15-12(19)10-11(14)18-13(21-10)17-8-2-3-8/h6,8H,2-5,14H2,1H3,(H,15,19)(H,17,18)
• InChIKey: YYZKQUJKZANSEJ-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 92.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.45
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116665966) is 4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1csc(CCNC(=O)c2sc(NC3CC3)nc2N)n1.

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

The InChIKey is YYZKQUJKZANSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-7-6-20-9(16-7)4-5-15-12(19)10-11(14)18-13(21-10)17-8-2-3-8/h6,8H,2-5,14H2,1H3,(H,15,19)(H,17,18).

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

4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 323.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).