[amino(thiophen-3-yl)methylidene]azanium

C5H7N2S+ — CID 6932604

IUPAC[amino(thiophen-3-yl)methylidene]azanium
SMILESNC(=[NH2+])c1ccsc1
InChIInChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1
InChIKeyJKCKRNYECSTMLV-UHFFFAOYSA-O
MW127.19 g/mol
LogP-0.79
Rot. Bonds1

About [amino(thiophen-3-yl)methylidene]azanium

[amino(thiophen-3-yl)methylidene]azanium (PubChem CID 6932604) has the molecular formula C5H7N2S+ and a molecular weight of 127.19 g/mol. Its IUPAC name is [amino(thiophen-3-yl)methylidene]azanium.

Molecular Properties

Compound Name[amino(thiophen-3-yl)methylidene]azanium
PubChem CID6932604
Molecular FormulaC5H7N2S+
Molecular Weight127.19 g/mol
Exact Mass127.03
IUPAC Name[amino(thiophen-3-yl)methylidene]azanium
SMILESNC(=[NH2+])c1ccsc1
InChIInChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1
InChIKeyJKCKRNYECSTMLV-UHFFFAOYSA-O
XLogP-0.79
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118270512
thiophene-3-carboximidamide;hydrochloride
CID 2779692
2-thiophen-3-ylbut-2-enal
CID 173416997
3-amino-3-thiophen-3-ylprop-2-enenitrile
CID 54536012
(4-amino-4-oxobutyl) thiophene-3-carboxylate
CID 71974804
4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide
CID 174444855
2-(thiophene-3-carbonyl)butanamide
CID 90985419
(1-aminocyclobutyl)-thiophen-3-ylmethanone
CID 116598388
2-methyl-1-thiophen-3-ylprop-2-en-1-one
CID 69300570
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-(1-chloro-2-iodoethenyl)thiophene
CID 175317820
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427

Frequently Asked Questions

What is the IUPAC name of [amino(thiophen-3-yl)methylidene]azanium?
The IUPAC name of [amino(thiophen-3-yl)methylidene]azanium (CID 6932604) is [amino(thiophen-3-yl)methylidene]azanium.
What is the SMILES notation for [amino(thiophen-3-yl)methylidene]azanium?
The canonical SMILES for [amino(thiophen-3-yl)methylidene]azanium is NC(=[NH2+])c1ccsc1.
What is the InChIKey of [amino(thiophen-3-yl)methylidene]azanium?
The InChIKey is JKCKRNYECSTMLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1.
What are the key properties of [amino(thiophen-3-yl)methylidene]azanium?
[amino(thiophen-3-yl)methylidene]azanium has a molecular weight of 127.19 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(thiophen-3-yl)methylidene]azanium is sourced from PubChem (CID 6932604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).