N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C18H25N5O2S — CID 138386381

About N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138386381) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
• PubChem CID: 138386381
• Molecular Formula: C18H25N5O2S
• Molecular Weight: 375.50 g/mol
• Exact Mass: 375.17
• IUPAC Name: N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
• SMILES: CCn1cncc1CNC(=O)C1CCc2sc(N3CCOCC3)nc2C1
• InChI: InChI=1S/C18H25N5O2S/c1-2-22-12-19-10-14(22)11-20-17(24)13-3-4-16-15(9-13)21-18(26-16)23-5-7-25-8-6-23/h10,12-13H,2-9,11H2,1H3,(H,20,24)
• InChIKey: CDHREOCIVGDEPL-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.50
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?

The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138386381) is N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?

The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is CCn1cncc1CNC(=O)C1CCc2sc(N3CCOCC3)nc2C1.

What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?

The InChIKey is CDHREOCIVGDEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-2-22-12-19-10-14(22)11-20-17(24)13-3-4-16-15(9-13)21-18(26-16)23-5-7-25-8-6-23/h10,12-13H,2-9,11H2,1H3,(H,20,24).

What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?

N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138386381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).