2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide

C11H8Br2N2OS2 — CID 113237268

IUPAC2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(Br)sc1Br
InChIInChI=1S/C11H8Br2N2OS2/c12-8-3-6(9(13)18-8)10(16)15-11-14-7(4-17-11)5-1-2-5/h3-5H,1-2H2,(H,14,15,16)
InChIKeyOXBGNYPNDOSMDP-UHFFFAOYSA-N
MW408.14 g/mol
LogP4.86
Rot. Bonds3

About 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide

2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide (PubChem CID 113237268) has the molecular formula C11H8Br2N2OS2 and a molecular weight of 408.14 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
PubChem CID113237268
Molecular FormulaC11H8Br2N2OS2
Molecular Weight408.14 g/mol
Exact Mass405.84
IUPAC Name2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(Br)sc1Br
InChIInChI=1S/C11H8Br2N2OS2/c12-8-3-6(9(13)18-8)10(16)15-11-14-7(4-17-11)5-1-2-5/h3-5H,1-2H2,(H,14,15,16)
InChIKeyOXBGNYPNDOSMDP-UHFFFAOYSA-N
XLogP4.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 32863519
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
2,5-dibromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 86962950
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617667
2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
CID 33302941
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-3-carboxamide
CID 107358656

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide (CID 113237268) is 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is OXBGNYPNDOSMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS2/c12-8-3-6(9(13)18-8)10(16)15-11-14-7(4-17-11)5-1-2-5/h3-5H,1-2H2,(H,14,15,16).
What are the key properties of 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 408.14 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 113237268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).