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

C13H16BrN3OS — CID 54877600

IUPAC4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C13H16BrN3OS/c1-4-5-17-7-10(14)6-11(17)12(18)16-13-15-8(2)9(3)19-13/h6-7H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyZGHPYUSMXGANMY-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.99
Rot. Bonds4

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

4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 54877600) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
PubChem CID54877600
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC Name4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C13H16BrN3OS/c1-4-5-17-7-10(14)6-11(17)12(18)16-13-15-8(2)9(3)19-13/h6-7H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyZGHPYUSMXGANMY-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60783539
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54877601
4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641258
4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 61480650
4-bromo-1-propyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60956374
4-bromo-N-(5-nitro-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60954776
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 43641337
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63565030
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
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide (CID 54877600) is 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is ZGHPYUSMXGANMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3OS/c1-4-5-17-7-10(14)6-11(17)12(18)16-13-15-8(2)9(3)19-13/h6-7H,4-5H2,1-3H3,(H,15,16,18).
What are the key properties of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 342.26 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 54877600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).