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

C13H19N5OS2 — CID 106044271

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

4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106044271) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
• PubChem CID: 106044271
• Molecular Formula: C13H19N5OS2
• Molecular Weight: 325.46 g/mol
• Exact Mass: 325.10
• IUPAC Name: 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(CCNC(=O)c2sc(NC(C)C)nc2N)cs1
• InChI: InChI=1S/C13H19N5OS2/c1-7(2)16-13-18-11(14)10(21-13)12(19)15-5-4-9-6-20-8(3)17-9/h6-7H,4-5,14H2,1-3H3,(H,15,19)(H,16,18)
• InChIKey: VNDQTLGZMYAICQ-UHFFFAOYSA-N
• XLogP: 2.28
• 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	325.46
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 106044271) is 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is Cc1nc(CCNC(=O)c2sc(NC(C)C)nc2N)cs1.

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

The InChIKey is VNDQTLGZMYAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-7(2)16-13-18-11(14)10(21-13)12(19)15-5-4-9-6-20-8(3)17-9/h6-7H,4-5,14H2,1-3H3,(H,15,19)(H,16,18).

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

4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106044271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).