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

C18H19N3O2S — CID 150876946

IUPACtert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2nc(-c3cccnc3)sc2c1
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)23-17(22)21(4)13-7-8-14-15(10-13)24-16(20-14)12-6-5-9-19-11-12/h5-11H,1-4H3
InChIKeyKVERBSJBOKKGQX-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.73
Rot. Bonds2

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

tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate (PubChem CID 150876946) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate
PubChem CID150876946
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Nametert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2nc(-c3cccnc3)sc2c1
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)23-17(22)21(4)13-7-8-14-15(10-13)24-16(20-14)12-6-5-9-19-11-12/h5-11H,1-4H3
InChIKeyKVERBSJBOKKGQX-UHFFFAOYSA-N
XLogP4.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-ethynyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate
CID 118978056
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
CID 145175450
CID 145175450
tert-butyl N-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;methane
CID 158950434
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580635
tert-butyl N-[4-[6-(1-butoxyethyl)-1,3-benzothiazol-2-yl]phenyl]-N-methylcarbamate
CID 155151124
tert-butyl-dimethyl-[(2-pyridin-3-yl-1,3-benzothiazol-6-yl)oxy]silane
CID 151333152
tert-butyl N-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate
CID 59580716
tert-butyl N-[(E)-but-2-enyl]-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580814
tert-butyl N-[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl]-N-ethylcarbamate
CID 164944062
tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate
CID 68856186
tert-butyl N-[5-[4-[6-(dimethylamino)-1,3-benzothiazol-2-yl]phenyl]-2-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 166127103

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate (CID 150876946) is tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate is CN(C(=O)OC(C)(C)C)c1ccc2nc(-c3cccnc3)sc2c1.
What is the InChIKey of tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate?
The InChIKey is KVERBSJBOKKGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(2,3)23-17(22)21(4)13-7-8-14-15(10-13)24-16(20-14)12-6-5-9-19-11-12/h5-11H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate?
tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate has a molecular weight of 341.44 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-benzothiazol-6-yl)carbamate is sourced from PubChem (CID 150876946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).