4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

C10H11BrN4OS — CID 43641258

IUPAC4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1nncs1
InChIInChI=1S/C10H11BrN4OS/c1-2-3-15-5-7(11)4-8(15)9(16)13-10-14-12-6-17-10/h4-6H,2-3H2,1H3,(H,13,14,16)
InChIKeyLOVPSNRTMZUVOT-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.76
Rot. Bonds4

About 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 43641258) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID43641258
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1nncs1
InChIInChI=1S/C10H11BrN4OS/c1-2-3-15-5-7(11)4-8(15)9(16)13-10-14-12-6-17-10/h4-6H,2-3H2,1H3,(H,13,14,16)
InChIKeyLOVPSNRTMZUVOT-UHFFFAOYSA-N
XLogP2.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propylpyrrole-2-carboxamide
CID 54877600
4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 61480650
4-bromo-N-(5-nitro-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60954776
4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641260
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 43641337
4-bromo-1-propyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60956374
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63565030
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
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide
CID 107857541

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 43641258) is 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1nncs1.
What is the InChIKey of 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is LOVPSNRTMZUVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-2-3-15-5-7(11)4-8(15)9(16)13-10-14-12-6-17-10/h4-6H,2-3H2,1H3,(H,13,14,16).
What are the key properties of 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).