thiophen-2-ylcyanamide

C5H4N2S — CID 119083859

IUPACthiophen-2-ylcyanamide
SMILESN#CNc1cccs1
InChIInChI=1S/C5H4N2S/c6-4-7-5-2-1-3-8-5/h1-3,7H
InChIKeyGFCJEEXMYPZBRV-UHFFFAOYSA-N
MW124.17 g/mol
LogP1.64
Rot. Bonds1

About thiophen-2-ylcyanamide

thiophen-2-ylcyanamide (PubChem CID 119083859) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is thiophen-2-ylcyanamide.

Molecular Properties

Compound Namethiophen-2-ylcyanamide
PubChem CID119083859
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Namethiophen-2-ylcyanamide
SMILESN#CNc1cccs1
InChIInChI=1S/C5H4N2S/c6-4-7-5-2-1-3-8-5/h1-3,7H
InChIKeyGFCJEEXMYPZBRV-UHFFFAOYSA-N
XLogP1.64
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(Acetamido)thiophene
CID 83087
N,N-diethylethanamine;thiophen-2-ylcarbamodithioic acid
CID 118705654
2-Aminothiophene
CID 97373
N-Thiophen-2-ylthiourea
CID 12348171
N-methylthiophen-2-amine
CID 11344002
Thienylaminobutane
CID 12181159
N-Ethylthiophen-2-amine
CID 15610265
Thienylurea
CID 18967935
N-2-Thienyl-2-thiophenamine
CID 53921402
N-(thienyl-2)ethylenediamine
CID 54066601
N-Methylthiophen-2-amine hydrochloride
CID 60146022
N-thiophen-2-ylcarbamodithioate;triethylazanium
CID 71718844

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylcyanamide?
The IUPAC name of thiophen-2-ylcyanamide (CID 119083859) is thiophen-2-ylcyanamide.
What is the SMILES notation for thiophen-2-ylcyanamide?
The canonical SMILES for thiophen-2-ylcyanamide is N#CNc1cccs1.
What is the InChIKey of thiophen-2-ylcyanamide?
The InChIKey is GFCJEEXMYPZBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S/c6-4-7-5-2-1-3-8-5/h1-3,7H.
What are the key properties of thiophen-2-ylcyanamide?
thiophen-2-ylcyanamide has a molecular weight of 124.17 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylcyanamide is sourced from PubChem (CID 119083859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).