cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate

C20H21N5O3S — CID 134203882

IUPACcyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate
SMILESCC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)ncn3)cc2s1
InChIInChI=1S/C20H21N5O3S/c1-12(26)23-19-24-15-8-7-13(9-17(15)29-19)16-10-18(22-11-21-16)25-20(27)28-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,23,24,26)(H,21,22,25,27)
InChIKeyDXOCNZUEOQGYMP-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.59
Rot. Bonds4

About cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate

cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate (PubChem CID 134203882) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate
PubChem CID134203882
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Namecyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate
SMILESCC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)ncn3)cc2s1
InChIInChI=1S/C20H21N5O3S/c1-12(26)23-19-24-15-8-7-13(9-17(15)29-19)16-10-18(22-11-21-16)25-20(27)28-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,23,24,26)(H,21,22,25,27)
InChIKeyDXOCNZUEOQGYMP-UHFFFAOYSA-N
XLogP4.59
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-ethyl-3-pyridinyl]carbamate
CID 134203956
cyclohexyl N-[5-(2-benzamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203913
cycloheptyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 142508019
cyclohexyl N-[2-methyl-5-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-1,3-benzothiazol-6-yl]-3-pyridinyl]carbamate
CID 159827142
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 143757565
(4,4-difluorocyclohexyl) N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate
CID 166636378
N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 86240110
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
CID 46290973
N-[6-[4-methyl-1-(oxan-2-yl)pyrazol-3-yl]-1,3-benzothiazol-2-yl]acetamide
CID 138533925
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
CID 46385341
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate?
The IUPAC name of cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate (CID 134203882) is cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate.
What is the SMILES notation for cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate?
The canonical SMILES for cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate is CC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)ncn3)cc2s1.
What is the InChIKey of cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate?
The InChIKey is DXOCNZUEOQGYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-12(26)23-19-24-15-8-7-13(9-17(15)29-19)16-10-18(22-11-21-16)25-20(27)28-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,23,24,26)(H,21,22,25,27).
What are the key properties of cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate?
cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate has a molecular weight of 411.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 134203882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).