2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide

C26H24N4O2S2 — CID 159664938

About 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide

2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide (PubChem CID 159664938) has the molecular formula C26H24N4O2S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide
• PubChem CID: 159664938
• Molecular Formula: C26H24N4O2S2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.13
• IUPAC Name: 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide
• SMILES: Cc1cccc(-c2sc(C)nc2C(=O)N2[C@H](Cc3nc4cccc(C(N)=O)c4s3)C[C@@H]3C[C@@H]32)c1
• InChI: InChI=1S/C26H24N4O2S2/c1-13-5-3-6-15(9-13)23-22(28-14(2)33-23)26(32)30-17(10-16-11-20(16)30)12-21-29-19-8-4-7-18(25(27)31)24(19)34-21/h3-9,16-17,20H,10-12H2,1-2H3,(H2,27,31)/t16-,17+,20+/m1/s1
• InChIKey: MTGZUSSVNHWEAN-UWVAXJGDSA-N
• XLogP: 4.98
• TPSA: 89.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide?

The IUPAC name of 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide (CID 159664938) is 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide.

What is the SMILES notation for 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide?

The canonical SMILES for 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2[C@H](Cc3nc4cccc(C(N)=O)c4s3)C[C@@H]3C[C@@H]32)c1.

What is the InChIKey of 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide?

The InChIKey is MTGZUSSVNHWEAN-UWVAXJGDSA-N. The full InChI is InChI=1S/C26H24N4O2S2/c1-13-5-3-6-15(9-13)23-22(28-14(2)33-23)26(32)30-17(10-16-11-20(16)30)12-21-29-19-8-4-7-18(25(27)31)24(19)34-21/h3-9,16-17,20H,10-12H2,1-2H3,(H2,27,31)/t16-,17+,20+/m1/s1.

What are the key properties of 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide?

2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 159664938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).