5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide

C19H19N7OS — CID 141479495

About 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide

5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide (PubChem CID 141479495) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide
• PubChem CID: 141479495
• Molecular Formula: C19H19N7OS
• Molecular Weight: 393.48 g/mol
• Exact Mass: 393.14
• IUPAC Name: 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide
• SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1cnc(C(N)=O)[nH]1
• InChI: InChI=1S/C19H19N7OS/c1-10(2)24-14-6-17(25-11-3-4-13-16(5-11)28-9-23-13)21-7-12(14)15-8-22-19(26-15)18(20)27/h3-10H,1-2H3,(H2,20,27)(H,22,26)(H2,21,24,25)
• InChIKey: YLSQKEYSMINLBZ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 121.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide (CID 141479495) is 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide.

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

The canonical SMILES for 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide is CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1cnc(C(N)=O)[nH]1.

What is the InChIKey of 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide?

The InChIKey is YLSQKEYSMINLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-10(2)24-14-6-17(25-11-3-4-13-16(5-11)28-9-23-13)21-7-12(14)15-8-22-19(26-15)18(20)27/h3-10H,1-2H3,(H2,20,27)(H,22,26)(H2,21,24,25).

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

5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 141479495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).