4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C13H13Br2N3OS2 — CID 19205259

IUPAC4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H13Br2N3OS2/c14-8-6-9(20-10(8)15)11(19)16-13-18-17-12(21-13)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,18,19)
InChIKeyOOTRZSSUHDBTSF-UHFFFAOYSA-N
MW451.21 g/mol
LogP5.42
Rot. Bonds3

About 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 19205259) has the molecular formula C13H13Br2N3OS2 and a molecular weight of 451.21 g/mol. Its IUPAC name is 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID19205259
Molecular FormulaC13H13Br2N3OS2
Molecular Weight451.21 g/mol
Exact Mass448.89
IUPAC Name4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H13Br2N3OS2/c14-8-6-9(20-10(8)15)11(19)16-13-18-17-12(21-13)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,18,19)
InChIKeyOOTRZSSUHDBTSF-UHFFFAOYSA-N
XLogP5.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.21
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2669775
4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 32863519
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17398394
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
CID 5190441
4,5-dibromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19219392
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 18134966
N-(4-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400083
4,5-dibromo-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860399
N-(3-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1398596

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 19205259) is 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nnc(C2CCCCC2)s1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is OOTRZSSUHDBTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3OS2/c14-8-6-9(20-10(8)15)11(19)16-13-18-17-12(21-13)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,16,18,19).
What are the key properties of 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 451.21 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19205259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).