2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol

C20H23N7OS — CID 141479548

About 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol

2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol (PubChem CID 141479548) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol
• PubChem CID: 141479548
• Molecular Formula: C20H23N7OS
• Molecular Weight: 409.52 g/mol
• Exact Mass: 409.17
• IUPAC Name: 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol
• SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1cnc(C(N)CO)[nH]1
• InChI: InChI=1S/C20H23N7OS/c1-11(2)25-16-6-19(26-12-3-4-15-18(5-12)29-10-24-15)22-7-13(16)17-8-23-20(27-17)14(21)9-28/h3-8,10-11,14,28H,9,21H2,1-2H3,(H,23,27)(H2,22,25,26)
• InChIKey: YHCAUDFCSXRCFV-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 124.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.52
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol?

The IUPAC name of 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol (CID 141479548) is 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol.

What is the SMILES notation for 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol?

The canonical SMILES for 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol is CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1cnc(C(N)CO)[nH]1.

What is the InChIKey of 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol?

The InChIKey is YHCAUDFCSXRCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-11(2)25-16-6-19(26-12-3-4-15-18(5-12)29-10-24-15)22-7-13(16)17-8-23-20(27-17)14(21)9-28/h3-8,10-11,14,28H,9,21H2,1-2H3,(H,23,27)(H2,22,25,26).

What are the key properties of 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol?

2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol has a molecular weight of 409.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 141479548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).