N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide

C20H15N3O2S2 — CID 8608881

IUPACN-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
SMILESCOc1cccc(C(=O)N(/N=C\c2cccs2)c2nc3ccccc3s2)c1
InChIInChI=1S/C20H15N3O2S2/c1-25-15-7-4-6-14(12-15)19(24)23(21-13-16-8-5-11-26-16)20-22-17-9-2-3-10-18(17)27-20/h2-13H,1H3/b21-13-
InChIKeyRHVXZBXRXOGOAY-BKUYFWCQSA-N
MW393.49 g/mol
LogP5.05
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide

N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 8608881) has the molecular formula C20H15N3O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID8608881
Molecular FormulaC20H15N3O2S2
Molecular Weight393.49 g/mol
Exact Mass393.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
SMILESCOc1cccc(C(=O)N(/N=C\c2cccs2)c2nc3ccccc3s2)c1
InChIInChI=1S/C20H15N3O2S2/c1-25-15-7-4-6-14(12-15)19(24)23(21-13-16-8-5-11-26-16)20-22-17-9-2-3-10-18(17)27-20/h2-13H,1H3/b21-13-
InChIKeyRHVXZBXRXOGOAY-BKUYFWCQSA-N
XLogP5.05
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-thiophen-2-ylmethylideneamino]carbamoyl]benzoate
CID 44945612
3,4,5-trimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44945578
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44945611
4-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44945626
3-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44941908
N-[(E)-benzylideneamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 44942697
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7543685
3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 44944446
4-(azepan-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44945595
N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44941914
N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitro-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44944353
N-(6-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44944413

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide (CID 8608881) is N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is COc1cccc(C(=O)N(/N=C\c2cccs2)c2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is RHVXZBXRXOGOAY-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c1-25-15-7-4-6-14(12-15)19(24)23(21-13-16-8-5-11-26-16)20-22-17-9-2-3-10-18(17)27-20/h2-13H,1H3/b21-13-.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide?
N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 393.49 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 8608881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).