4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide

C10H11BrN4OS — CID 17415165

IUPAC4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(Br)cn2C)s1
InChIInChI=1S/C10H11BrN4OS/c1-3-8-13-14-10(17-8)12-9(16)7-4-6(11)5-15(7)2/h4-5H,3H2,1-2H3,(H,12,14,16)
InChIKeyVMICPRYQPSWWTF-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.45
Rot. Bonds3

About 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 17415165) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID17415165
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(Br)cn2C)s1
InChIInChI=1S/C10H11BrN4OS/c1-3-8-13-14-10(17-8)12-9(16)7-4-6(11)5-15(7)2/h4-5H,3H2,1-2H3,(H,12,14,16)
InChIKeyVMICPRYQPSWWTF-UHFFFAOYSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide (CID 17415165) is 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide is CCc1nnc(NC(=O)c2cc(Br)cn2C)s1.
What is the InChIKey of 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is VMICPRYQPSWWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-3-8-13-14-10(17-8)12-9(16)7-4-6(11)5-15(7)2/h4-5H,3H2,1-2H3,(H,12,14,16).
What are the key properties of 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 17415165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).