tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate

C19H26N2O3S — CID 164568151

IUPACtert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate
SMILESCOc1cc2nc(C3CCCCC3)sc2cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O3S/c1-19(2,3)24-18(22)21-13-11-16-14(10-15(13)23-4)20-17(25-16)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,21,22)
InChIKeyKGMYRUBYOHUFSR-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.70
Rot. Bonds3

About tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate

tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate (PubChem CID 164568151) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate
PubChem CID164568151
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Nametert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate
SMILESCOc1cc2nc(C3CCCCC3)sc2cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O3S/c1-19(2,3)24-18(22)21-13-11-16-14(10-15(13)23-4)20-17(25-16)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,21,22)
InChIKeyKGMYRUBYOHUFSR-UHFFFAOYSA-N
XLogP5.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methoxy-2-(4-methylcyclohexyl)-1,3-benzothiazol-6-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 164566846
methyl 6-bromo-2-cyclohexyl-1,3-benzothiazole-5-carboxylate
CID 156794818
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]pyridine-2-carboxamide
CID 156530619
methoxy-[4-[5-methoxy-6-[[2-(trifluoromethyl)-1,2-dihydropyridine-6-carbonyl]amino]-1,3-benzothiazol-2-yl]cyclohexyl]-oxoazanium
CID 156795546
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
CID 156794494
2,4-dimethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 45356710
N-[2-cyclohexyl-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 157030410
N-[2-[3-(iodomethyl)cyclobutyl]-5-methoxy-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156479
2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid
CID 118172850
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 95601514
methyl 6-bromo-5-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 168977230

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate (CID 164568151) is tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate is COc1cc2nc(C3CCCCC3)sc2cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate?
The InChIKey is KGMYRUBYOHUFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-19(2,3)24-18(22)21-13-11-16-14(10-15(13)23-4)20-17(25-16)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate?
tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate has a molecular weight of 362.50 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate is sourced from PubChem (CID 164568151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).