methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate

C15H19N3O3S — CID 60529886

IUPACmethyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
SMILESCCCCc1ccc2nc(NC(=O)CNC(=O)OC)sc2c1
InChIInChI=1S/C15H19N3O3S/c1-3-4-5-10-6-7-11-12(8-10)22-14(17-11)18-13(19)9-16-15(20)21-2/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyRCUBULZNNUAEFY-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.93
Rot. Bonds6

About methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate

methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 60529886) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID60529886
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Namemethyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
SMILESCCCCc1ccc2nc(NC(=O)CNC(=O)OC)sc2c1
InChIInChI=1S/C15H19N3O3S/c1-3-4-5-10-6-7-11-12(8-10)22-14(17-11)18-13(19)9-16-15(20)21-2/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyRCUBULZNNUAEFY-UHFFFAOYSA-N
XLogP2.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 55370141
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 5166243
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19210029
2-bromo-N-(6-butyl-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 17244883
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide
CID 5175386
5-bromo-N-(6-butyl-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
CID 4000275
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]thiophene-2-carboxamide
CID 5175137
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-chlorobenzamide
CID 5188777
2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide
CID 19210040
2-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55334351

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate (CID 60529886) is methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate is CCCCc1ccc2nc(NC(=O)CNC(=O)OC)sc2c1.
What is the InChIKey of methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is RCUBULZNNUAEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-4-5-10-6-7-11-12(8-10)22-14(17-11)18-13(19)9-16-15(20)21-2/h6-8H,3-5,9H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate?
methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 321.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 60529886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).