4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide

C19H18N4O3S — CID 1160398

IUPAC4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide
SMILESNc1ccc(C(=O)Nc2nc3ccc(C(=O)N4CCOCC4)cc3s2)cc1
InChIInChI=1S/C19H18N4O3S/c20-14-4-1-12(2-5-14)17(24)22-19-21-15-6-3-13(11-16(15)27-19)18(25)23-7-9-26-10-8-23/h1-6,11H,7-10,20H2,(H,21,22,24)
InChIKeyGKLUFOAUGPJRKJ-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.60
Rot. Bonds3

About 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide

4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 1160398) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID1160398
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide
SMILESNc1ccc(C(=O)Nc2nc3ccc(C(=O)N4CCOCC4)cc3s2)cc1
InChIInChI=1S/C19H18N4O3S/c20-14-4-1-12(2-5-14)17(24)22-19-21-15-6-3-13(11-16(15)27-19)18(25)23-7-9-26-10-8-23/h1-6,11H,7-10,20H2,(H,21,22,24)
InChIKeyGKLUFOAUGPJRKJ-UHFFFAOYSA-N
XLogP2.60
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzoate
CID 1136431
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
4-amino-N-[6-[[2-[(4-aminobenzoyl)amino]-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]benzamide
CID 4205104
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-[6-[6-amino-5-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 59251894
N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143056

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide (CID 1160398) is 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide is Nc1ccc(C(=O)Nc2nc3ccc(C(=O)N4CCOCC4)cc3s2)cc1.
What is the InChIKey of 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is GKLUFOAUGPJRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c20-14-4-1-12(2-5-14)17(24)22-19-21-15-6-3-13(11-16(15)27-19)18(25)23-7-9-26-10-8-23/h1-6,11H,7-10,20H2,(H,21,22,24).
What are the key properties of 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide?
4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 382.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 1160398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).