2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide

C21H28N4O2S — CID 108766079

IUPAC2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCN1CCN(C(=O)c2ccc3nc(NC(=O)CC4CCCCC4)sc3c2)CC1
InChIInChI=1S/C21H28N4O2S/c1-24-9-11-25(12-10-24)20(27)16-7-8-17-18(14-16)28-21(22-17)23-19(26)13-15-5-3-2-4-6-15/h7-8,14-15H,2-6,9-13H2,1H3,(H,22,23,26)
InChIKeyVEBHLUCZLPNUGD-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.59
Rot. Bonds4

About 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide

2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 108766079) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID108766079
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCN1CCN(C(=O)c2ccc3nc(NC(=O)CC4CCCCC4)sc3c2)CC1
InChIInChI=1S/C21H28N4O2S/c1-24-9-11-25(12-10-24)20(27)16-7-8-17-18(14-16)28-21(22-17)23-19(26)13-15-5-3-2-4-6-15/h7-8,14-15H,2-6,9-13H2,1H3,(H,22,23,26)
InChIKeyVEBHLUCZLPNUGD-UHFFFAOYSA-N
XLogP3.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
CID 108743866
2-(4-fluorophenyl)-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
CID 108766099
1-acetyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
CID 108743838
1-ethyl-3-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]thiourea
CID 108783383
prop-2-enyl N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]carbamate
CID 108743817
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
CID 46290973
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108743869
N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide
CID 3147233
(E)-3-(4-fluorophenyl)-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 108766141
(2-amino-1,3-benzothiazol-6-yl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 75366132
(E)-3-(3,4-dichlorophenyl)-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 108766143

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide (CID 108766079) is 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide is CN1CCN(C(=O)c2ccc3nc(NC(=O)CC4CCCCC4)sc3c2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is VEBHLUCZLPNUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-24-9-11-25(12-10-24)20(27)16-7-8-17-18(14-16)28-21(22-17)23-19(26)13-15-5-3-2-4-6-15/h7-8,14-15H,2-6,9-13H2,1H3,(H,22,23,26).
What are the key properties of 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide?
2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 400.55 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 108766079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).