N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide

C22H26N4O2S2 — CID 86896980

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
SMILESO=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1nc2ccccc2s1
InChIInChI=1S/C22H26N4O2S2/c27-18(23-11-8-20-25-16-6-2-3-7-17(16)30-20)14-22(9-4-1-5-10-22)15-19(28)26-21-24-12-13-29-21/h2-3,6-7,12-13H,1,4-5,8-11,14-15H2,(H,23,27)(H,24,26,28)
InChIKeyUEWUKXLWZUZHJN-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.78
Rot. Bonds8

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide (PubChem CID 86896980) has the molecular formula C22H26N4O2S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
PubChem CID86896980
Molecular FormulaC22H26N4O2S2
Molecular Weight442.61 g/mol
Exact Mass442.15
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
SMILESO=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1nc2ccccc2s1
InChIInChI=1S/C22H26N4O2S2/c27-18(23-11-8-20-25-16-6-2-3-7-17(16)30-20)14-22(9-4-1-5-10-22)15-19(28)26-21-24-12-13-29-21/h2-3,6-7,12-13H,1,4-5,8-11,14-15H2,(H,23,27)(H,24,26,28)
InChIKeyUEWUKXLWZUZHJN-UHFFFAOYSA-N
XLogP4.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
2-[1-(aminomethyl)cyclohexyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 104677484
N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 120827381
N-(1,3-benzothiazol-2-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 111536402
2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86935159
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 24519995
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86897048
2-[1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86896978
1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 47148467
4-[2-[[2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 136559987
2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide
CID 39952051

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide (CID 86896980) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide is O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The InChIKey is UEWUKXLWZUZHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S2/c27-18(23-11-8-20-25-16-6-2-3-7-17(16)30-20)14-22(9-4-1-5-10-22)15-19(28)26-21-24-12-13-29-21/h2-3,6-7,12-13H,1,4-5,8-11,14-15H2,(H,23,27)(H,24,26,28).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide has a molecular weight of 442.61 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 86896980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).