4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

C20H19FN4OS — CID 18553988

IUPAC4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCOc1cccc(NC(=S)N2CCc3[nH]cnc3C2c2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN4OS/c1-26-16-4-2-3-15(11-16)24-20(27)25-10-9-17-18(23-12-22-17)19(25)13-5-7-14(21)8-6-13/h2-8,11-12,19H,9-10H2,1H3,(H,22,23)(H,24,27)
InChIKeyWVTPHILXAMCCKS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.90
Rot. Bonds3

About 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (PubChem CID 18553988) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
PubChem CID18553988
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCOc1cccc(NC(=S)N2CCc3[nH]cnc3C2c2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN4OS/c1-26-16-4-2-3-15(11-16)24-20(27)25-10-9-17-18(23-12-22-17)19(25)13-5-7-14(21)8-6-13/h2-8,11-12,19H,9-10H2,1H3,(H,22,23)(H,24,27)
InChIKeyWVTPHILXAMCCKS-UHFFFAOYSA-N
XLogP3.90
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (CID 18553988) is 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is COc1cccc(NC(=S)N2CCc3[nH]cnc3C2c2ccc(F)cc2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The InChIKey is WVTPHILXAMCCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-26-16-4-2-3-15(11-16)24-20(27)25-10-9-17-18(23-12-22-17)19(25)13-5-7-14(21)8-6-13/h2-8,11-12,19H,9-10H2,1H3,(H,22,23)(H,24,27).
What are the key properties of 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide has a molecular weight of 382.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is sourced from PubChem (CID 18553988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).