[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

C15H26N4OS — CID 103504884

About [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103504884) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
• PubChem CID: 103504884
• Molecular Formula: C15H26N4OS
• Molecular Weight: 310.47 g/mol
• Exact Mass: 310.18
• IUPAC Name: [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
• SMILES: CC(C)Nc1nc(N)c(C(=O)N2CCC(C(C)C)CC2)s1
• InChI: InChI=1S/C15H26N4OS/c1-9(2)11-5-7-19(8-6-11)14(20)12-13(16)18-15(21-12)17-10(3)4/h9-11H,5-8,16H2,1-4H3,(H,17,18)
• InChIKey: DXEXGMMBXVRKLQ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.47
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?

The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103504884) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone.

What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?

The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)Nc1nc(N)c(C(=O)N2CCC(C(C)C)CC2)s1.

What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?

The InChIKey is DXEXGMMBXVRKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-9(2)11-5-7-19(8-6-11)14(20)12-13(16)18-15(21-12)17-10(3)4/h9-11H,5-8,16H2,1-4H3,(H,17,18).

What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone?

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 310.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103504884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).