4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide

C16H22N4O3S — CID 120594765

IUPAC4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
SMILESCOC(CN)CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C16H22N4O3S/c1-22-12(10-17)9-15(21)18-11-2-3-13-14(8-11)24-16(19-13)20-4-6-23-7-5-20/h2-3,8,12H,4-7,9-10,17H2,1H3,(H,18,21)
InChIKeyVOBVFNUPHWRMSM-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.44
Rot. Bonds6

About 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide

4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide (PubChem CID 120594765) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
PubChem CID120594765
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
SMILESCOC(CN)CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C16H22N4O3S/c1-22-12(10-17)9-15(21)18-11-2-3-13-14(8-11)24-16(19-13)20-4-6-23-7-5-20/h2-3,8,12H,4-7,9-10,17H2,1H3,(H,18,21)
InChIKeyVOBVFNUPHWRMSM-UHFFFAOYSA-N
XLogP1.44
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55596101
3-acetamido-3-(4-chlorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55381431
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 17470104
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 120640187
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
CID 17482439
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
(2R)-2-(carbamoylamino)-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 34186868
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide (CID 120594765) is 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide is COC(CN)CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
The InChIKey is VOBVFNUPHWRMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-22-12(10-17)9-15(21)18-11-2-3-13-14(8-11)24-16(19-13)20-4-6-23-7-5-20/h2-3,8,12H,4-7,9-10,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide?
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide has a molecular weight of 350.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide is sourced from PubChem (CID 120594765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).