N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

C19H25N3O2S — CID 108763394

IUPACN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc2ccc(CN3CCOCC3)cc2s1)C1CCCCC1
InChIInChI=1S/C19H25N3O2S/c23-18(15-4-2-1-3-5-15)21-19-20-16-7-6-14(12-17(16)25-19)13-22-8-10-24-11-9-22/h6-7,12,15H,1-5,8-11,13H2,(H,20,21,23)
InChIKeyUFJGVLNMOQJDDJ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.65
Rot. Bonds4

About N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (PubChem CID 108763394) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
PubChem CID108763394
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc2ccc(CN3CCOCC3)cc2s1)C1CCCCC1
InChIInChI=1S/C19H25N3O2S/c23-18(15-4-2-1-3-5-15)21-19-20-16-7-6-14(12-17(16)25-19)13-22-8-10-24-11-9-22/h6-7,12,15H,1-5,8-11,13H2,(H,20,21,23)
InChIKeyUFJGVLNMOQJDDJ-UHFFFAOYSA-N
XLogP3.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 108740790
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
2-chloroethyl N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]carbamate
CID 108740850
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 4219162
3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740915
3,4,5-trimethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108763385
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
N-[4-[[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 108782871
4-(4-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740858

Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (CID 108763394) is N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nc2ccc(CN3CCOCC3)cc2s1)C1CCCCC1.
What is the InChIKey of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is UFJGVLNMOQJDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c23-18(15-4-2-1-3-5-15)21-19-20-16-7-6-14(12-17(16)25-19)13-22-8-10-24-11-9-22/h6-7,12,15H,1-5,8-11,13H2,(H,20,21,23).
What are the key properties of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 108763394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).