N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide

C18H19FN4OS — CID 162380406

IUPACN-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1cnc[nH]1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C18H19FN4OS/c19-13-6-7-16-15(8-13)22-18(25-16)23(10-14-9-20-11-21-14)17(24)12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H,20,21)
InChIKeyIANAJSIHLGPDKW-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.27
Rot. Bonds4

About N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide

N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide (PubChem CID 162380406) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide
PubChem CID162380406
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1cnc[nH]1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C18H19FN4OS/c19-13-6-7-16-15(8-13)22-18(25-16)23(10-14-9-20-11-21-14)17(24)12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H,20,21)
InChIKeyIANAJSIHLGPDKW-UHFFFAOYSA-N
XLogP4.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-cyano-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide
CID 162380401
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 43968066
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43966229
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 18582243
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43965989
N-(1H-imidazol-5-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 162380275
N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
CID 44928795
ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide
CID 176952178
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 30708667
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 43967725
N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 162380507
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
CID 44947217

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide (CID 162380406) is N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1cnc[nH]1)c1nc2cc(F)ccc2s1.
What is the InChIKey of N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide?
The InChIKey is IANAJSIHLGPDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c19-13-6-7-16-15(8-13)22-18(25-16)23(10-14-9-20-11-21-14)17(24)12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H,20,21).
What are the key properties of N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide?
N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-benzothiazol-2-yl)-N-(1H-imidazol-5-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 162380406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).