N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide

C10H10BrN5OS — CID 107378352

IUPACN-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)NCc2ccc(Br)s2)cn1
InChIInChI=1S/C10H10BrN5OS/c11-8-2-1-6(18-8)3-15-10(17)7-4-14-9(16-12)5-13-7/h1-2,4-5H,3,12H2,(H,14,16)(H,15,17)
InChIKeyMRZNMINOCVZYCT-UHFFFAOYSA-N
MW328.20 g/mol
LogP1.52
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide (PubChem CID 107378352) has the molecular formula C10H10BrN5OS and a molecular weight of 328.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
PubChem CID107378352
Molecular FormulaC10H10BrN5OS
Molecular Weight328.20 g/mol
Exact Mass326.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)NCc2ccc(Br)s2)cn1
InChIInChI=1S/C10H10BrN5OS/c11-8-2-1-6(18-8)3-15-10(17)7-4-14-9(16-12)5-13-7/h1-2,4-5H,3,12H2,(H,14,16)(H,15,17)
InChIKeyMRZNMINOCVZYCT-UHFFFAOYSA-N
XLogP1.52
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 33295313
5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115116731
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 114139758
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115117022
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
2-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66377859
N-(2-fluoroethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 130504959
N-(2,2-dimethylpropyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377627
N-(cyclopentylmethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378088
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
5-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrazine-2-carboxamide
CID 107378322
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide (CID 107378352) is N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide is NNc1cnc(C(=O)NCc2ccc(Br)s2)cn1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide?
The InChIKey is MRZNMINOCVZYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5OS/c11-8-2-1-6(18-8)3-15-10(17)7-4-14-9(16-12)5-13-7/h1-2,4-5H,3,12H2,(H,14,16)(H,15,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide has a molecular weight of 328.20 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide is sourced from PubChem (CID 107378352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).