1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide

C14H24N4S — CID 3054005

IUPAC1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide
SMILESCCC1c2ncn(CC)c2CCN1C(=S)NC(C)C
InChIInChI=1S/C14H24N4S/c1-5-11-13-12(17(6-2)9-15-13)7-8-18(11)14(19)16-10(3)4/h9-11H,5-8H2,1-4H3,(H,16,19)
InChIKeyQUXKHZNZCYIGGS-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.50
Rot. Bonds3

About 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide

1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide (PubChem CID 3054005) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide
PubChem CID3054005
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide
SMILESCCC1c2ncn(CC)c2CCN1C(=S)NC(C)C
InChIInChI=1S/C14H24N4S/c1-5-11-13-12(17(6-2)9-15-13)7-8-18(11)14(19)16-10(3)4/h9-11H,5-8H2,1-4H3,(H,16,19)
InChIKeyQUXKHZNZCYIGGS-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
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 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide?
The IUPAC name of 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide (CID 3054005) is 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide.
What is the SMILES notation for 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide?
The canonical SMILES for 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide is CCC1c2ncn(CC)c2CCN1C(=S)NC(C)C.
What is the InChIKey of 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide?
The InChIKey is QUXKHZNZCYIGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-5-11-13-12(17(6-2)9-15-13)7-8-18(11)14(19)16-10(3)4/h9-11H,5-8H2,1-4H3,(H,16,19).
What are the key properties of 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide?
1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide has a molecular weight of 280.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-N-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbothioamide is sourced from PubChem (CID 3054005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).