N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide

C7H11N3OS — CID 171986018

IUPACN,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide
SMILESCN(C)C(=O)n1ccn(C)c1=S
InChIInChI=1S/C7H11N3OS/c1-8(2)6(11)10-5-4-9(3)7(10)12/h4-5H,1-3H3
InChIKeyQJMYYIDNIHWXEB-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.09
Rot. Bonds

About N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide

N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide (PubChem CID 171986018) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide
PubChem CID171986018
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide
SMILESCN(C)C(=O)n1ccn(C)c1=S
InChIInChI=1S/C7H11N3OS/c1-8(2)6(11)10-5-4-9(3)7(10)12/h4-5H,1-3H3
InChIKeyQJMYYIDNIHWXEB-UHFFFAOYSA-N
XLogP1.09
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide?
The IUPAC name of N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide (CID 171986018) is N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide.
What is the SMILES notation for N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide?
The canonical SMILES for N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide is CN(C)C(=O)n1ccn(C)c1=S.
What is the InChIKey of N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide?
The InChIKey is QJMYYIDNIHWXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-8(2)6(11)10-5-4-9(3)7(10)12/h4-5H,1-3H3.
What are the key properties of N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide?
N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-sulfanylideneimidazole-1-carboxamide is sourced from PubChem (CID 171986018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).