N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide

C10H7BrN4OS — CID 71833431

IUPACN-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(NN=Cc1cc(Br)cs1)c1cnccn1
InChIInChI=1S/C10H7BrN4OS/c11-7-3-8(17-6-7)4-14-15-10(16)9-5-12-1-2-13-9/h1-6H,(H,15,16)
InChIKeyGBUJOUZLJZUGDF-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.06
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide

N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 71833431) has the molecular formula C10H7BrN4OS and a molecular weight of 311.16 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide
PubChem CID71833431
Molecular FormulaC10H7BrN4OS
Molecular Weight311.16 g/mol
Exact Mass309.95
IUPAC NameN-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(NN=Cc1cc(Br)cs1)c1cnccn1
InChIInChI=1S/C10H7BrN4OS/c11-7-3-8(17-6-7)4-14-15-10(16)9-5-12-1-2-13-9/h1-6H,(H,15,16)
InChIKeyGBUJOUZLJZUGDF-UHFFFAOYSA-N
XLogP2.06
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398291
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135635822
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 847629
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135644732
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 9232259
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
CID 42995239
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
N-[(1-methylpyrrol-2-yl)methylideneamino]pyrazine-2-carboxamide
CID 668426
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]pyrazine-2-carboxamide
CID 135715757

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide (CID 71833431) is N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide is O=C(NN=Cc1cc(Br)cs1)c1cnccn1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is GBUJOUZLJZUGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4OS/c11-7-3-8(17-6-7)4-14-15-10(16)9-5-12-1-2-13-9/h1-6H,(H,15,16).
What are the key properties of N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide?
N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 311.16 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 71833431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).