N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

C11H12N2O2S — CID 718596

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C11H12N2O2S/c1-3-10(14)13-11-12-8-5-4-7(15-2)6-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyUAVSMPZIKNDTLX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.65
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 718596) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID718596
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C11H12N2O2S/c1-3-10(14)13-11-12-8-5-4-7(15-2)6-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyUAVSMPZIKNDTLX-UHFFFAOYSA-N
XLogP2.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-[6-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325764
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 115603712
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 718596) is N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is CCC(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is UAVSMPZIKNDTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-10(14)13-11-12-8-5-4-7(15-2)6-9(8)16-11/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 236.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 718596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).