N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide

C16H19BrN2OS — CID 5176965

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C16H19BrN2OS/c17-12-7-8-13-14(10-12)21-16(18-13)19-15(20)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,18,19,20)
InChIKeyFVCQRKWKWPNYMR-UHFFFAOYSA-N
MW367.31 g/mol
LogP5.36
Rot. Bonds4

About N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide

N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide (PubChem CID 5176965) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
PubChem CID5176965
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C16H19BrN2OS/c17-12-7-8-13-14(10-12)21-16(18-13)19-15(20)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,18,19,20)
InChIKeyFVCQRKWKWPNYMR-UHFFFAOYSA-N
XLogP5.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.31
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 4129775
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 1222303
N-(6-bromo-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylpropanamide
CID 170553043
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692
N-(6-bromo-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3315961
N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 41151948
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide
CID 46328628
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
CID 46290973
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 4133136

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide (CID 5176965) is N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide?
The InChIKey is FVCQRKWKWPNYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c17-12-7-8-13-14(10-12)21-16(18-13)19-15(20)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9H2,(H,18,19,20).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide has a molecular weight of 367.31 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 5176965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).