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

C11H8Br2N2OS2 — CID 32863519

IUPAC4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H8Br2N2OS2/c12-6-3-8(18-9(6)13)10(16)15-11-14-7(4-17-11)5-1-2-5/h3-5H,1-2H2,(H,14,15,16)
InChIKeyRKPJPMQMNWQGKG-UHFFFAOYSA-N
MW408.14 g/mol
LogP4.86
Rot. Bonds3

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

4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 32863519) has the molecular formula C11H8Br2N2OS2 and a molecular weight of 408.14 g/mol. Its IUPAC name is 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID32863519
Molecular FormulaC11H8Br2N2OS2
Molecular Weight408.14 g/mol
Exact Mass405.84
IUPAC Name4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H8Br2N2OS2/c12-6-3-8(18-9(6)13)10(16)15-11-14-7(4-17-11)5-1-2-5/h3-5H,1-2H2,(H,14,15,16)
InChIKeyRKPJPMQMNWQGKG-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

2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 113237268
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43060966
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617667
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47426290
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30135053
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19205259

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 32863519) is 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is RKPJPMQMNWQGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2OS2/c12-6-3-8(18-9(6)13)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 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-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 4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 32863519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).