[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

C24H29N5OS2 — CID 130236059

About [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 130236059) has the molecular formula C24H29N5OS2 and a molecular weight of 467.66 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

• Compound Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
• PubChem CID: 130236059
• Molecular Formula: C24H29N5OS2
• Molecular Weight: 467.66 g/mol
• Exact Mass: 467.18
• IUPAC Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
• SMILES: CCCC1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
• InChI: InChI=1S/C24H29N5OS2/c1-4-5-16-10-18-7-8-19(11-16)29(18)23(30)17-6-9-21(25-12-17)28-24-27-20(13-31-24)22-14(2)26-15(3)32-22/h6,9,12-13,16,18-19H,4-5,7-8,10-11H2,1-3H3,(H,25,27,28)
• InChIKey: NOQBQQJFVFHINJ-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.66
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 130236059) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone.

What is the SMILES notation for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The canonical SMILES for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone is CCCC1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1.

What is the InChIKey of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The InChIKey is NOQBQQJFVFHINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS2/c1-4-5-16-10-18-7-8-19(11-16)29(18)23(30)17-6-9-21(25-12-17)28-24-27-20(13-31-24)22-14(2)26-15(3)32-22/h6,9,12-13,16,18-19H,4-5,7-8,10-11H2,1-3H3,(H,25,27,28).

What are the key properties of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 467.66 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 130236059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).