2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide

C14H15N3OS — CID 154264062

IUPAC2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide
SMILESNC(=O)c1c[nH]c(=S)n1C1CCCc2ccccc21
InChIInChI=1S/C14H15N3OS/c15-13(18)12-8-16-14(19)17(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,15,18)(H,16,19)
InChIKeyBSGRZEZYMOUFRG-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.57
Rot. Bonds2

About 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide

2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide (PubChem CID 154264062) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide
PubChem CID154264062
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide
SMILESNC(=O)c1c[nH]c(=S)n1C1CCCc2ccccc21
InChIInChI=1S/C14H15N3OS/c15-13(18)12-8-16-14(19)17(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,15,18)(H,16,19)
InChIKeyBSGRZEZYMOUFRG-UHFFFAOYSA-N
XLogP2.57
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 134279503
2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
CID 94161380
1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
CID 173080411
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102
7-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79277584
5-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 168690355
3-(2,4-dihydroxyphenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 135487502
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185
3-(phenoxymethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 11588092
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide?
The IUPAC name of 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide (CID 154264062) is 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide is NC(=O)c1c[nH]c(=S)n1C1CCCc2ccccc21.
What is the InChIKey of 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide?
The InChIKey is BSGRZEZYMOUFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-13(18)12-8-16-14(19)17(12)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,15,18)(H,16,19).
What are the key properties of 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide?
2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 154264062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).