N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide

C19H20N4O3S — CID 46927441

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(N4CCOCC4)nc3)sc2c1
InChIInChI=1S/C19H20N4O3S/c1-25-14-3-4-15-16(11-14)27-19(21-15)22-18(24)10-13-2-5-17(20-12-13)23-6-8-26-9-7-23/h2-5,11-12H,6-10H2,1H3,(H,21,22,24)
InChIKeyQTZALTGBMYHGHY-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.72
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide (PubChem CID 46927441) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide
PubChem CID46927441
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(N4CCOCC4)nc3)sc2c1
InChIInChI=1S/C19H20N4O3S/c1-25-14-3-4-15-16(11-14)27-19(21-15)22-18(24)10-13-2-5-17(20-12-13)23-6-8-26-9-7-23/h2-5,11-12H,6-10H2,1H3,(H,21,22,24)
InChIKeyQTZALTGBMYHGHY-UHFFFAOYSA-N
XLogP2.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide (CID 46927441) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide is COc1ccc2nc(NC(=O)Cc3ccc(N4CCOCC4)nc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide?
The InChIKey is QTZALTGBMYHGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-25-14-3-4-15-16(11-14)27-19(21-15)22-18(24)10-13-2-5-17(20-12-13)23-6-8-26-9-7-23/h2-5,11-12H,6-10H2,1H3,(H,21,22,24).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-morpholin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 46927441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).