N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide

C10H8BrN3S — CID 11601604

IUPACN-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide
SMILESS=C(Nc1ccc(Br)cn1)n1cccc1
InChIInChI=1S/C10H8BrN3S/c11-8-3-4-9(12-7-8)13-10(15)14-5-1-2-6-14/h1-7H,(H,12,13,15)
InChIKeyNVVOEUGIMRPKMX-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.89
Rot. Bonds1

About N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide

N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide (PubChem CID 11601604) has the molecular formula C10H8BrN3S and a molecular weight of 282.17 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide
PubChem CID11601604
Molecular FormulaC10H8BrN3S
Molecular Weight282.17 g/mol
Exact Mass280.96
IUPAC NameN-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide
SMILESS=C(Nc1ccc(Br)cn1)n1cccc1
InChIInChI=1S/C10H8BrN3S/c11-8-3-4-9(12-7-8)13-10(15)14-5-1-2-6-14/h1-7H,(H,12,13,15)
InChIKeyNVVOEUGIMRPKMX-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-2H-imidazole-2-carbothioamide
CID 142034862
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)thiourea
CID 19686328
1-(5-bromo-2-pyridinyl)-3-(2-phenylethyl)thiourea
CID 2429552
1-(5-bromo-2-pyridinyl)-3-propylthiourea
CID 17254872
1-(5-bromo-2-pyridinyl)-3-cyclohexylthiourea
CID 19686352
N-[(5-bromo-2-pyridinyl)carbamothioyl]-2-phenylacetamide
CID 1346272
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
1-(5-bromo-2-pyridinyl)-3-(1-pyrrolidin-1-ylethyl)thiourea
CID 23500897
1-(5-bromo-2-pyridinyl)-3-(2-phenoxyethyl)thiourea
CID 3002941
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide (CID 11601604) is N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide is S=C(Nc1ccc(Br)cn1)n1cccc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide?
The InChIKey is NVVOEUGIMRPKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3S/c11-8-3-4-9(12-7-8)13-10(15)14-5-1-2-6-14/h1-7H,(H,12,13,15).
What are the key properties of N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide?
N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide has a molecular weight of 282.17 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)pyrrole-1-carbothioamide is sourced from PubChem (CID 11601604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).