2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide

C16H25N3O2S — CID 110444221

IUPAC2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide
SMILESO=C(CN1CCOCC1)NCCCc1nc2c(s1)CCCC2
InChIInChI=1S/C16H25N3O2S/c20-15(12-19-8-10-21-11-9-19)17-7-3-6-16-18-13-4-1-2-5-14(13)22-16/h1-12H2,(H,17,20)
InChIKeyNQYNMHNCULDMMB-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.40
Rot. Bonds6

About 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide

2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide (PubChem CID 110444221) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide
PubChem CID110444221
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide
SMILESO=C(CN1CCOCC1)NCCCc1nc2c(s1)CCCC2
InChIInChI=1S/C16H25N3O2S/c20-15(12-19-8-10-21-11-9-19)17-7-3-6-16-18-13-4-1-2-5-14(13)22-16/h1-12H2,(H,17,20)
InChIKeyNQYNMHNCULDMMB-UHFFFAOYSA-N
XLogP1.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide (CID 110444221) is 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide is O=C(CN1CCOCC1)NCCCc1nc2c(s1)CCCC2.
What is the InChIKey of 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide?
The InChIKey is NQYNMHNCULDMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-15(12-19-8-10-21-11-9-19)17-7-3-6-16-18-13-4-1-2-5-14(13)22-16/h1-12H2,(H,17,20).
What are the key properties of 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide?
2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 110444221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).