N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C18H18N4O2S — CID 38538666

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-2-24-17-13(7-6-10-19-17)11-20-16(23)15-12-21-18(25)22(15)14-8-4-3-5-9-14/h3-10,12H,2,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyFIVADQTYRUZMDK-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.26
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 38538666) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID38538666
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C18H18N4O2S/c1-2-24-17-13(7-6-10-19-17)11-20-16(23)15-12-21-18(25)22(15)14-8-4-3-5-9-14/h3-10,12H,2,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyFIVADQTYRUZMDK-UHFFFAOYSA-N
XLogP3.26
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32604397
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24549422
N-[(2R,3R)-2-hydroxy-3-methylpentyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 99701118
N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32988332
2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid
CID 50959569
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
N-[(2-ethoxy-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70746076
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408
N-[(2-ethoxy-3-pyridinyl)methyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
CID 119052185
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 38538666) is N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is CCOc1ncccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is FIVADQTYRUZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-2-24-17-13(7-6-10-19-17)11-20-16(23)15-12-21-18(25)22(15)14-8-4-3-5-9-14/h3-10,12H,2,11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 38538666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).