cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate

C23H26N4O3S — CID 134203956

IUPACcyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate
SMILESCCc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1
InChIInChI=1S/C23H26N4O3S/c1-3-18-20(27-23(29)30-17-7-5-4-6-8-17)11-16(13-24-18)15-9-10-19-21(12-15)31-22(26-19)25-14(2)28/h9-13,17H,3-8H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyBPQUOIKIYOJAIC-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.76
Rot. Bonds5

About cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate

cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate (PubChem CID 134203956) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate
PubChem CID134203956
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Namecyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate
SMILESCCc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1
InChIInChI=1S/C23H26N4O3S/c1-3-18-20(27-23(29)30-17-7-5-4-6-8-17)11-16(13-24-18)15-9-10-19-21(12-15)31-22(26-19)25-14(2)28/h9-13,17H,3-8H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyBPQUOIKIYOJAIC-UHFFFAOYSA-N
XLogP5.76
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203913
cyclohexyl N-[2-methyl-5-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-benzothiazol-6-yl]-3-pyridinyl]carbamate
CID 159827142
cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate
CID 134203882
N-[6-(6-ethyl-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 118721835
(4,4-difluorocyclohexyl) N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate
CID 166636378
cycloheptyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 142508019
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 134203953
cyclohexyl 7-[2-(methylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167040577
[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-carboxycarbamic acid
CID 87557292
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623339
cyclohexyl N-[5-[2-[[2-[4-[[5-[2-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)amino]-2-oxoethoxy]pyrimidin-2-yl]-methylamino]butyl-methylamino]acetyl]amino]-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;(4-methylphenyl)methanethiol
CID 176683281
N-[6-[2-(cyclopentyloxymethyl)pyrimidin-5-yl]-1,3-benzothiazol-2-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide
CID 170078449

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate?
The IUPAC name of cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate (CID 134203956) is cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate.
What is the SMILES notation for cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate?
The canonical SMILES for cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate is CCc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate?
The InChIKey is BPQUOIKIYOJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-3-18-20(27-23(29)30-17-7-5-4-6-8-17)11-16(13-24-18)15-9-10-19-21(12-15)31-22(26-19)25-14(2)28/h9-13,17H,3-8H2,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate?
cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate has a molecular weight of 438.55 g/mol, XLogP of 5.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate is sourced from PubChem (CID 134203956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).