N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide

C12H17BrN2OS — CID 65018719

IUPACN-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CCCCCCC1
InChIInChI=1S/C12H17BrN2OS/c13-10-8-14-12(17-10)15-11(16)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H,14,15,16)
InChIKeyOCGOLRFACJJXAQ-UHFFFAOYSA-N
MW317.25 g/mol
LogP4.20
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide

N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide (PubChem CID 65018719) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
PubChem CID65018719
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CCCCCCC1
InChIInChI=1S/C12H17BrN2OS/c13-10-8-14-12(17-10)15-11(16)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H,14,15,16)
InChIKeyOCGOLRFACJJXAQ-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 79161232
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid
CID 61205623
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238
3-[2-(cyclopentanecarbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 54971231
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 155186410

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide (CID 65018719) is N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide is O=C(Nc1ncc(Br)s1)C1CCCCCCC1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide?
The InChIKey is OCGOLRFACJJXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c13-10-8-14-12(17-10)15-11(16)9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H,14,15,16).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide?
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide has a molecular weight of 317.25 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide is sourced from PubChem (CID 65018719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).