7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione

C10H13N3S — CID 79288995

IUPAC7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2C(C)C
InChIInChI=1S/C10H13N3S/c1-6(2)13-9-8(12-10(13)14)7(3)4-5-11-9/h4-6H,1-3H3,(H,12,14)
InChIKeyPQYCRYYRULBLFK-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.98
Rot. Bonds1

About 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione

7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79288995) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79288995
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccnc2c1[nH]c(=S)n2C(C)C
InChIInChI=1S/C10H13N3S/c1-6(2)13-9-8(12-10(13)14)7(3)4-5-11-9/h4-6H,1-3H3,(H,12,14)
InChIKeyPQYCRYYRULBLFK-UHFFFAOYSA-N
XLogP2.98
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpyridine-2,3-diamine
CID 317495
1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)
CID 589729
N-pyridin-3-yl-2,3-dihydroindole-1-carbothioamide
CID 715759
(3-Methyl-pyridin-2-yl)-thiourea
CID 1480047
1H-Imidazo[4,5-b]pyridine-2-thiol
CID 729246
1H-Pyrrolo(2,3-b)pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-
CID 170513
1-(4-Methylpyridin-2-yl)-3-(prop-2-en-1-yl)thiourea
CID 1900943
6-(2-methyl-3-imidazo[1,2-a]pyridinyl)-1H-pyrimidine-2-thione
CID 2745456
1,3-Dihydro-1-(2-(4-pyridinyl)ethyl)-2H-benzimidazole-2-thione
CID 3032601
N-ethyl-N'-(4-methyl-2-pyridinyl)thiourea
CID 848970
3-benzyl-1H-imidazo[4,5-b]pyridin-2-one
CID 910567
4-methyl-N-(4-methyl-2-pyridinyl)piperazine-1-carbothioamide
CID 49853070

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione (CID 79288995) is 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccnc2c1[nH]c(=S)n2C(C)C.
What is the InChIKey of 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is PQYCRYYRULBLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6(2)13-9-8(12-10(13)14)7(3)4-5-11-9/h4-6H,1-3H3,(H,12,14).
What are the key properties of 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione?
7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 207.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79288995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).