N-(2-sulfanylethyl)imidazole-1-carboxamide

C6H9N3OS — CID 58107367

IUPACN-(2-sulfanylethyl)imidazole-1-carboxamide
SMILESO=C(NCCS)n1ccnc1
InChIInChI=1S/C6H9N3OS/c10-6(8-2-4-11)9-3-1-7-5-9/h1,3,5,11H,2,4H2,(H,8,10)
InChIKeyMIDCYVKISQRZQY-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.37
Rot. Bonds2

About N-(2-sulfanylethyl)imidazole-1-carboxamide

N-(2-sulfanylethyl)imidazole-1-carboxamide (PubChem CID 58107367) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is N-(2-sulfanylethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)imidazole-1-carboxamide
PubChem CID58107367
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC NameN-(2-sulfanylethyl)imidazole-1-carboxamide
SMILESO=C(NCCS)n1ccnc1
InChIInChI=1S/C6H9N3OS/c10-6(8-2-4-11)9-3-1-7-5-9/h1,3,5,11H,2,4H2,(H,8,10)
InChIKeyMIDCYVKISQRZQY-UHFFFAOYSA-N
XLogP0.37
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
CID 43546302
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
CID 81258075
2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
CID 67424696
N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 28818830
N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
CID 106037947
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693
N-octadec-9-enylimidazole-1-carboxamide
CID 54037396
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 43566692
N-(2,2-diethoxyethyl)imidazole-1-carboxamide
CID 81269425
N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
CID 39869812

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylethyl)imidazole-1-carboxamide?
The IUPAC name of N-(2-sulfanylethyl)imidazole-1-carboxamide (CID 58107367) is N-(2-sulfanylethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-sulfanylethyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-sulfanylethyl)imidazole-1-carboxamide is O=C(NCCS)n1ccnc1.
What is the InChIKey of N-(2-sulfanylethyl)imidazole-1-carboxamide?
The InChIKey is MIDCYVKISQRZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c10-6(8-2-4-11)9-3-1-7-5-9/h1,3,5,11H,2,4H2,(H,8,10).
What are the key properties of N-(2-sulfanylethyl)imidazole-1-carboxamide?
N-(2-sulfanylethyl)imidazole-1-carboxamide has a molecular weight of 171.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)imidazole-1-carboxamide is sourced from PubChem (CID 58107367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).