formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone

C20H31N3O5S — CID 154919202

About formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone

formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone (PubChem CID 154919202) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone.

Molecular Properties

• Compound Name: formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone
• PubChem CID: 154919202
• Molecular Formula: C20H31N3O5S
• Molecular Weight: 425.55 g/mol
• Exact Mass: 425.20
• IUPAC Name: formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone
• SMILES: O=C(C1CCc2sc(N3CCOCC3)nc2C1)N1CCC(CCO)CC1.O=CO
• InChI: InChI=1S/C19H29N3O3S.CH2O2/c23-10-5-14-3-6-21(7-4-14)18(24)15-1-2-17-16(13-15)20-19(26-17)22-8-11-25-12-9-22;2-1-3/h14-15,23H,1-13H2;1H,(H,2,3)
• InChIKey: OTOQNDXUKBYICW-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 103.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.55
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone?

The IUPAC name of formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone (CID 154919202) is formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone.

What is the SMILES notation for formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone?

The canonical SMILES for formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone is O=C(C1CCc2sc(N3CCOCC3)nc2C1)N1CCC(CCO)CC1.O=CO.

What is the InChIKey of formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone?

The InChIKey is OTOQNDXUKBYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.CH2O2/c23-10-5-14-3-6-21(7-4-14)18(24)15-1-2-17-16(13-15)20-19(26-17)22-8-11-25-12-9-22;2-1-3/h14-15,23H,1-13H2;1H,(H,2,3).

What are the key properties of formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone?

formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone has a molecular weight of 425.55 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone is sourced from PubChem (CID 154919202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).