propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate

C13H14N2O3S — CID 145490728

IUPACpropan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate
SMILESCC(=O)c1ccc2nc(NC(=O)OC(C)C)sc2c1
InChIInChI=1S/C13H14N2O3S/c1-7(2)18-13(17)15-12-14-10-5-4-9(8(3)16)6-11(10)19-12/h4-7H,1-3H3,(H,14,15,17)
InChIKeyDRYWMISOZFAMKE-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.46
Rot. Bonds3

About propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate

propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate (PubChem CID 145490728) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate
PubChem CID145490728
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namepropan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate
SMILESCC(=O)c1ccc2nc(NC(=O)OC(C)C)sc2c1
InChIInChI=1S/C13H14N2O3S/c1-7(2)18-13(17)15-12-14-10-5-4-9(8(3)16)6-11(10)19-12/h4-7H,1-3H3,(H,14,15,17)
InChIKeyDRYWMISOZFAMKE-UHFFFAOYSA-N
XLogP3.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-acetamido-1,3-benzothiazole-6-carboxylate
CID 15103757
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
methyl 2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxylate
CID 4118650
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
ethyl 2-(2-methylpropoxycarbonylamino)-1,3-benzothiazole-6-carboxylate
CID 108739191
2-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
1-(2-bromo-1,3-benzothiazol-6-yl)ethanone
CID 11673296
propan-2-yl 2-[(4-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate
CID 17128384
1-chloroethyl N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamate
CID 118029905
propan-2-yl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate
CID 17128406
propan-2-yl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17128343
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate (CID 145490728) is propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate is CC(=O)c1ccc2nc(NC(=O)OC(C)C)sc2c1.
What is the InChIKey of propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is DRYWMISOZFAMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7(2)18-13(17)15-12-14-10-5-4-9(8(3)16)6-11(10)19-12/h4-7H,1-3H3,(H,14,15,17).
What are the key properties of propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate?
propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 278.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 145490728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).