1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea

C12H11N5S — CID 3329255

IUPAC1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea
SMILESS=C(NN=Cc1ccccn1)Nc1ccccn1
InChIInChI=1S/C12H11N5S/c18-12(16-11-6-2-4-8-14-11)17-15-9-10-5-1-3-7-13-10/h1-9H,(H2,14,16,17,18)
InChIKeyWAMAMGLRPFVEBR-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.80
Rot. Bonds3

About 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea

1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea (PubChem CID 3329255) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea
PubChem CID3329255
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea
SMILESS=C(NN=Cc1ccccn1)Nc1ccccn1
InChIInChI=1S/C12H11N5S/c18-12(16-11-6-2-4-8-14-11)17-15-9-10-5-1-3-7-13-10/h1-9H,(H2,14,16,17,18)
InChIKeyWAMAMGLRPFVEBR-UHFFFAOYSA-N
XLogP1.80
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
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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Related Compounds

2,2'-Dipyridylamine
CID 14547
Dp44mT
CID 10334137
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
Urea, 1-cyclohexyl-3-(2-pyridyl)-2-thio-
CID 721803
Trovirdine
CID 3000870
4-Ethyl-1-(1-(2-pyridyl)ethylidene)-3-thiosemicarbazide
CID 5920829
1-Phenyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3000575
2-Acetylpyridine-(4-phenylthiosemicarbazone)
CID 5479699
N-(2-pyridinyl)-N'-(3-pyridinyl)thiourea
CID 2766576
Trovirdine hydrochloride
CID 5327620
1-Piperidinecarbothioic acid, 2-(1-(2-pyridinyl)ethylidene)hydrazide
CID 3005684
N,N'-Di-2-pyridinylthiourea
CID 702572

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea?
The IUPAC name of 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea (CID 3329255) is 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea.
What is the SMILES notation for 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea?
The canonical SMILES for 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea is S=C(NN=Cc1ccccn1)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea?
The InChIKey is WAMAMGLRPFVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c18-12(16-11-6-2-4-8-14-11)17-15-9-10-5-1-3-7-13-10/h1-9H,(H2,14,16,17,18).
What are the key properties of 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea?
1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea has a molecular weight of 257.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-(pyridin-2-ylmethylideneamino)thiourea is sourced from PubChem (CID 3329255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).