N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide

C16H20N4O2S — CID 46385341

IUPACN-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(NC(=O)NC3CCCCC3)ccc2s1
InChIInChI=1S/C16H20N4O2S/c1-10(21)17-16-20-13-9-12(7-8-14(13)23-16)19-15(22)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,20,21)(H2,18,19,22)
InChIKeyRVZOZGQKXLNMGG-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.71
Rot. Bonds3

About N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide

N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46385341) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
PubChem CID46385341
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2cc(NC(=O)NC3CCCCC3)ccc2s1
InChIInChI=1S/C16H20N4O2S/c1-10(21)17-16-20-13-9-12(7-8-14(13)23-16)19-15(22)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,20,21)(H2,18,19,22)
InChIKeyRVZOZGQKXLNMGG-UHFFFAOYSA-N
XLogP3.71
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide
CID 46328628
N-[5-[(3,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385413
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
N-[5-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385432
N-[5-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385418
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
CID 46290973
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
CID 121080787
1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843041
N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide
CID 46328705
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431
N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
CID 146057643

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide (CID 46385341) is N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2cc(NC(=O)NC3CCCCC3)ccc2s1.
What is the InChIKey of N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is RVZOZGQKXLNMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(21)17-16-20-13-9-12(7-8-14(13)23-16)19-15(22)18-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,20,21)(H2,18,19,22).
What are the key properties of N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide?
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46385341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).