(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine

C9H8IN3S — CID 115860644

IUPAC(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine
SMILESNC(c1csc(I)c1)c1cnccn1
InChIInChI=1S/C9H8IN3S/c10-8-3-6(5-14-8)9(11)7-4-12-1-2-13-7/h1-5,9H,11H2
InChIKeyZXHGOSLMAJJYTE-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.19
Rot. Bonds2

About (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine

(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine (PubChem CID 115860644) has the molecular formula C9H8IN3S and a molecular weight of 317.16 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine
PubChem CID115860644
Molecular FormulaC9H8IN3S
Molecular Weight317.16 g/mol
Exact Mass316.95
IUPAC Name(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine
SMILESNC(c1csc(I)c1)c1cnccn1
InChIInChI=1S/C9H8IN3S/c10-8-3-6(5-14-8)9(11)7-4-12-1-2-13-7/h1-5,9H,11H2
InChIKeyZXHGOSLMAJJYTE-UHFFFAOYSA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006630
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530394
(R)-pyrazin-2-yl(quinolin-3-yl)methanamine
CID 93358826
(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
CID 115860586
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
(4-propylphenyl)-pyrazin-2-ylmethanamine
CID 62801095
[4-(difluoromethoxy)phenyl]-pyrazin-2-ylmethanamine
CID 115860590
1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine
CID 114979107
(2-bromophenyl)-pyrazin-2-ylmethanamine
CID 63970477
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
(4-cyclobutylphenyl)-pyrazin-2-ylmethanamine
CID 116505926

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine?
The IUPAC name of (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine (CID 115860644) is (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine.
What is the SMILES notation for (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine?
The canonical SMILES for (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine is NC(c1csc(I)c1)c1cnccn1.
What is the InChIKey of (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine?
The InChIKey is ZXHGOSLMAJJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3S/c10-8-3-6(5-14-8)9(11)7-4-12-1-2-13-7/h1-5,9H,11H2.
What are the key properties of (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine?
(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine has a molecular weight of 317.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine is sourced from PubChem (CID 115860644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).