4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide

C11H11Br2N3OS — CID 60783539

IUPAC4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C11H11Br2N3OS/c1-2-3-16-6-7(12)4-8(16)10(17)15-11-14-5-9(13)18-11/h4-6H,2-3H2,1H3,(H,14,15,17)
InChIKeyQKXABGHFLUYDEJ-UHFFFAOYSA-N
MW393.10 g/mol
LogP4.13
Rot. Bonds4

About 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 60783539) has the molecular formula C11H11Br2N3OS and a molecular weight of 393.10 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID60783539
Molecular FormulaC11H11Br2N3OS
Molecular Weight393.10 g/mol
Exact Mass390.90
IUPAC Name4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C11H11Br2N3OS/c1-2-3-16-6-7(12)4-8(16)10(17)15-11-14-5-9(13)18-11/h4-6H,2-3H2,1H3,(H,14,15,17)
InChIKeyQKXABGHFLUYDEJ-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.10
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(5-nitro-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60954776
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 54877600
4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641258
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 43641337
4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 61480650
N-(5-bromo-1,3-thiazol-2-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 60783546
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63565030
N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
CID 1235992
4-bromo-1-propyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60956374
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 63525463

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide (CID 60783539) is 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is QKXABGHFLUYDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3OS/c1-2-3-16-6-7(12)4-8(16)10(17)15-11-14-5-9(13)18-11/h4-6H,2-3H2,1H3,(H,14,15,17).
What are the key properties of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 393.10 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 60783539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).