phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate

C18H18N2O2S — CID 53268833

IUPACphenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
SMILESCC(C)(C)c1ccc2nc(NC(=O)Oc3ccccc3)sc2c1
InChIInChI=1S/C18H18N2O2S/c1-18(2,3)12-9-10-14-15(11-12)23-16(19-14)20-17(21)22-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,21)
InChIKeyYDELPFBAAQMQIT-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.20
Rot. Bonds2

About phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate

phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate (PubChem CID 53268833) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
PubChem CID53268833
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Namephenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
SMILESCC(C)(C)c1ccc2nc(NC(=O)Oc3ccccc3)sc2c1
InChIInChI=1S/C18H18N2O2S/c1-18(2,3)12-9-10-14-15(11-12)23-16(19-14)20-17(21)22-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,21)
InChIKeyYDELPFBAAQMQIT-UHFFFAOYSA-N
XLogP5.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(phenoxycarbonylamino)-1,3-benzothiazole-6-carboxylate
CID 87933804
(E)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
CID 53268886
N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 53268944
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 53268881
6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 58672198
phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate
CID 141233220
(E)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 53268809
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 121004815
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 168872990
(2-benzamido-1,3-benzothiazol-6-yl) benzoate
CID 86658020

Frequently Asked Questions

What is the IUPAC name of phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate (CID 53268833) is phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate is CC(C)(C)c1ccc2nc(NC(=O)Oc3ccccc3)sc2c1.
What is the InChIKey of phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is YDELPFBAAQMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-18(2,3)12-9-10-14-15(11-12)23-16(19-14)20-17(21)22-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,21).
What are the key properties of phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate?
phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 326.42 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 53268833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).