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

C27H26N4O3S — CID 134203913

IUPACcyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCc1ncc(-c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1NC(=O)OC1CCCCC1
InChIInChI=1S/C27H26N4O3S/c1-17-23(30-27(33)34-21-10-6-3-7-11-21)14-20(16-28-17)19-12-13-22-24(15-19)35-26(29-22)31-25(32)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11H2,1H3,(H,30,33)(H,29,31,32)
InChIKeyYUVCSHDVLGVHBJ-UHFFFAOYSA-N
MW486.60 g/mol
LogP6.80
Rot. Bonds5

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

cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate (PubChem CID 134203913) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
PubChem CID134203913
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC Namecyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCc1ncc(-c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1NC(=O)OC1CCCCC1
InChIInChI=1S/C27H26N4O3S/c1-17-23(30-27(33)34-21-10-6-3-7-11-21)14-20(16-28-17)19-12-13-22-24(15-19)35-26(29-22)31-25(32)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11H2,1H3,(H,30,33)(H,29,31,32)
InChIKeyYUVCSHDVLGVHBJ-UHFFFAOYSA-N
XLogP6.80
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl N-[2-methyl-5-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-benzothiazol-6-yl]-3-pyridinyl]carbamate
CID 159827142
(4,4-difluorocyclohexyl) N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate
CID 166636378
cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate
CID 134203956
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
CID 4159999
N-[2-chloro-5-[2-(cyclopropylmethylamino)-1,3-benzothiazol-6-yl]-3-pyridinyl]benzamide
CID 122185882
cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate
CID 134203882
N-[6-[6-methyl-5-[(2-phenylacetyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]propanamide
CID 134203947
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-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 134203953
cycloheptyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 142508019
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
cyclohexyl 7-[2-(methylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167040577

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The IUPAC name of cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate (CID 134203913) is cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The canonical SMILES for cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate is Cc1ncc(-c2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1NC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The InChIKey is YUVCSHDVLGVHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-17-23(30-27(33)34-21-10-6-3-7-11-21)14-20(16-28-17)19-12-13-22-24(15-19)35-26(29-22)31-25(32)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11H2,1H3,(H,30,33)(H,29,31,32).
What are the key properties of cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate has a molecular weight of 486.60 g/mol, XLogP of 6.80, 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-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 134203913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).