4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

C12H14N4OS — CID 21330771

IUPAC4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCNC(=S)N1CCc2[nH]cnc2C1c1ccco1
InChIInChI=1S/C12H14N4OS/c1-13-12(18)16-5-4-8-10(15-7-14-8)11(16)9-3-2-6-17-9/h2-3,6-7,11H,4-5H2,1H3,(H,13,18)(H,14,15)
InChIKeyYPAQUVNTWSYBHD-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.45
Rot. Bonds1

About 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide

4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (PubChem CID 21330771) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
PubChem CID21330771
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
SMILESCNC(=S)N1CCc2[nH]cnc2C1c1ccco1
InChIInChI=1S/C12H14N4OS/c1-13-12(18)16-5-4-8-10(15-7-14-8)11(16)9-3-2-6-17-9/h2-3,6-7,11H,4-5H2,1H3,(H,13,18)(H,14,15)
InChIKeyYPAQUVNTWSYBHD-UHFFFAOYSA-N
XLogP1.45
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.45
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

4-ethyl-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 21330764
4-phenyl-N-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 4111938
(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95209463
(4S)-4-(furan-2-yl)-5-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95205451
furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 95200329
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 18553997
(4R)-4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 41043990
N-cyclopentyl-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 138007076
azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297484
methyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trifluoroacetic acid
CID 70118290
N-propan-2-yl-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 21330714
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,4-dimethylpentan-1-one
CID 169164212

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The IUPAC name of 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide (CID 21330771) is 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide.
What is the SMILES notation for 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The canonical SMILES for 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is CNC(=S)N1CCc2[nH]cnc2C1c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
The InChIKey is YPAQUVNTWSYBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-13-12(18)16-5-4-8-10(15-7-14-8)11(16)9-3-2-6-17-9/h2-3,6-7,11H,4-5H2,1H3,(H,13,18)(H,14,15).
What are the key properties of 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide?
4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide has a molecular weight of 262.34 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide is sourced from PubChem (CID 21330771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).