[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea

C9H10N6S — CID 136819282

IUPAC[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1nc2ncccc2[nH]1
InChIInChI=1S/C9H10N6S/c1-5(14-15-9(10)16)7-12-6-3-2-4-11-8(6)13-7/h2-4H,1H3,(H3,10,15,16)(H,11,12,13)/b14-5-
InChIKeyQSLZUDAHRGOJDZ-RZNTYIFUSA-N
MW234.29 g/mol
LogP0.52
Rot. Bonds2

About [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea

[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea (PubChem CID 136819282) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea
PubChem CID136819282
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1nc2ncccc2[nH]1
InChIInChI=1S/C9H10N6S/c1-5(14-15-9(10)16)7-12-6-3-2-4-11-8(6)13-7/h2-4H,1H3,(H3,10,15,16)(H,11,12,13)/b14-5-
InChIKeyQSLZUDAHRGOJDZ-RZNTYIFUSA-N
XLogP0.52
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea (CID 136819282) is [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea is C/C(=N/NC(N)=S)c1nc2ncccc2[nH]1.
What is the InChIKey of [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea?
The InChIKey is QSLZUDAHRGOJDZ-RZNTYIFUSA-N. The full InChI is InChI=1S/C9H10N6S/c1-5(14-15-9(10)16)7-12-6-3-2-4-11-8(6)13-7/h2-4H,1H3,(H3,10,15,16)(H,11,12,13)/b14-5-.
What are the key properties of [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea?
[(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea has a molecular weight of 234.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]thiourea is sourced from PubChem (CID 136819282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).