2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

C20H20N4O3S2 — CID 5213183

IUPAC2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1
InChIInChI=1S/C20H20N4O3S2/c1-26-16-5-3-2-4-14(16)18(25)22-19(28)23-20-21-15-7-6-13(12-17(15)29-20)24-8-10-27-11-9-24/h2-7,12H,8-11H2,1H3,(H2,21,22,23,25,28)
InChIKeyMVYAWZMPHNGVGG-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.27
Rot. Bonds4

About 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide (PubChem CID 5213183) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
PubChem CID5213183
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1
InChIInChI=1S/C20H20N4O3S2/c1-26-16-5-3-2-4-14(16)18(25)22-19(28)23-20-21-15-7-6-13(12-17(15)29-20)24-8-10-27-11-9-24/h2-7,12H,8-11H2,1H3,(H2,21,22,23,25,28)
InChIKeyMVYAWZMPHNGVGG-UHFFFAOYSA-N
XLogP3.27
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3941772
2-chloro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4685074
4-fluoro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3542044
N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide
CID 4275001
4-ethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4000752
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 40604029
2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 17244599
methyl 5-[(2-methoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate
CID 42536141
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide (CID 5213183) is 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide is COc1ccccc1C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1.
What is the InChIKey of 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide?
The InChIKey is MVYAWZMPHNGVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-26-16-5-3-2-4-14(16)18(25)22-19(28)23-20-21-15-7-6-13(12-17(15)29-20)24-8-10-27-11-9-24/h2-7,12H,8-11H2,1H3,(H2,21,22,23,25,28).
What are the key properties of 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide?
2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide has a molecular weight of 428.54 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide is sourced from PubChem (CID 5213183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).