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

C17H25BrN2OS — CID 118104957

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
SMILESO=C(Nc1ncc(Br)s1)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H25BrN2OS/c18-14-11-19-17(22-14)20-16(21)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15H,1-10H2,(H,19,20,21)
InChIKeyVBSSQXZXILBQQZ-UHFFFAOYSA-N
MW385.37 g/mol
LogP5.62
Rot. Bonds4

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

N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide (PubChem CID 118104957) has the molecular formula C17H25BrN2OS and a molecular weight of 385.37 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
PubChem CID118104957
Molecular FormulaC17H25BrN2OS
Molecular Weight385.37 g/mol
Exact Mass384.09
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
SMILESO=C(Nc1ncc(Br)s1)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H25BrN2OS/c18-14-11-19-17(22-14)20-16(21)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15H,1-10H2,(H,19,20,21)
InChIKeyVBSSQXZXILBQQZ-UHFFFAOYSA-N
XLogP5.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.37
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632
(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
CID 130563823
N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 79161232
N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 61066356
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid
CID 61205623
2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
CID 65229801
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide (CID 118104957) is N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide is O=C(Nc1ncc(Br)s1)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide?
The InChIKey is VBSSQXZXILBQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2OS/c18-14-11-19-17(22-14)20-16(21)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13,15H,1-10H2,(H,19,20,21).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide has a molecular weight of 385.37 g/mol, XLogP of 5.62, 4 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)-2,2-dicyclohexylacetamide is sourced from PubChem (CID 118104957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).