3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione

C14H16N4S2 — CID 81138510

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C(C)c3sc(C)nc3C)c2n1
InChIInChI=1S/C14H16N4S2/c1-7-5-6-11-13(15-7)18(14(19)17-11)9(3)12-8(2)16-10(4)20-12/h5-6,9H,1-4H3,(H,17,19)
InChIKeyQNGINJLFJHSJTM-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.08
Rot. Bonds2

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81138510) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81138510
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C(C)c3sc(C)nc3C)c2n1
InChIInChI=1S/C14H16N4S2/c1-7-5-6-11-13(15-7)18(14(19)17-11)9(3)12-8(2)16-10(4)20-12/h5-6,9H,1-4H3,(H,17,19)
InChIKeyQNGINJLFJHSJTM-UHFFFAOYSA-N
XLogP4.08
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81138510) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C(C)c3sc(C)nc3C)c2n1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is QNGINJLFJHSJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-7-5-6-11-13(15-7)18(14(19)17-11)9(3)12-8(2)16-10(4)20-12/h5-6,9H,1-4H3,(H,17,19).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 304.44 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81138510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).