2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate

C15H21N3O3S — CID 142751175

IUPAC2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate
SMILESCc1cc(OCCOC(=O)NC(C)(C)C)cc2sc(N)nc12
InChIInChI=1S/C15H21N3O3S/c1-9-7-10(8-11-12(9)17-13(16)22-11)20-5-6-21-14(19)18-15(2,3)4/h7-8H,5-6H2,1-4H3,(H2,16,17)(H,18,19)
InChIKeyGKGHWENQRXJWAN-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.09
Rot. Bonds4

About 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate

2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate (PubChem CID 142751175) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate
PubChem CID142751175
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate
SMILESCc1cc(OCCOC(=O)NC(C)(C)C)cc2sc(N)nc12
InChIInChI=1S/C15H21N3O3S/c1-9-7-10(8-11-12(9)17-13(16)22-11)20-5-6-21-14(19)18-15(2,3)4/h7-8H,5-6H2,1-4H3,(H2,16,17)(H,18,19)
InChIKeyGKGHWENQRXJWAN-UHFFFAOYSA-N
XLogP3.09
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174710079
2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 118435267
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-[(2-amino-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]ethyl acetate
CID 134181230
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 91680730
methyl (2S)-2-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 51389501
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 91680729
6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
CID 82548822
6-bromo-4-methyl-1,3-benzothiazol-2-amine
CID 17244948
1-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)butane-1,3-dione
CID 154235812
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide
CID 131920215

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate (CID 142751175) is 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate is Cc1cc(OCCOC(=O)NC(C)(C)C)cc2sc(N)nc12.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate?
The InChIKey is GKGHWENQRXJWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-9-7-10(8-11-12(9)17-13(16)22-11)20-5-6-21-14(19)18-15(2,3)4/h7-8H,5-6H2,1-4H3,(H2,16,17)(H,18,19).
What are the key properties of 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate?
2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate has a molecular weight of 323.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-benzothiazol-6-yl)oxy]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 142751175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).