N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide

C14H19N3O2S — CID 115356996

IUPACN-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide
SMILESCOc1ccc2nc(NCC(=O)NC(C)(C)C)sc2c1
InChIInChI=1S/C14H19N3O2S/c1-14(2,3)17-12(18)8-15-13-16-10-6-5-9(19-4)7-11(10)20-13/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyUSTPFMHUFLXQCC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.63
Rot. Bonds4

About N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide

N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide (PubChem CID 115356996) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide
PubChem CID115356996
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide
SMILESCOc1ccc2nc(NCC(=O)NC(C)(C)C)sc2c1
InChIInChI=1S/C14H19N3O2S/c1-14(2,3)17-12(18)8-15-13-16-10-6-5-9(19-4)7-11(10)20-13/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyUSTPFMHUFLXQCC-UHFFFAOYSA-N
XLogP2.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79518268
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
CID 106539212
6-methoxy-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79518809
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)urea
CID 110676070
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828864

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide (CID 115356996) is N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide is COc1ccc2nc(NCC(=O)NC(C)(C)C)sc2c1.
What is the InChIKey of N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide?
The InChIKey is USTPFMHUFLXQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(2,3)17-12(18)8-15-13-16-10-6-5-9(19-4)7-11(10)20-13/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide?
N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetamide is sourced from PubChem (CID 115356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).