1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea

C9H12N4S — CID 71346320

IUPAC1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCC(=NN(C)C(N)=S)c1ccccn1
InChIInChI=1S/C9H12N4S/c1-7(12-13(2)9(10)14)8-5-3-4-6-11-8/h3-6H,1-2H3,(H2,10,14)
InChIKeyYOTQMQSKYXUIRO-UHFFFAOYSA-N
MW208.29 g/mol
LogP0.98
Rot. Bonds2

About 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea

1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea (PubChem CID 71346320) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Name1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea
PubChem CID71346320
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCC(=NN(C)C(N)=S)c1ccccn1
InChIInChI=1S/C9H12N4S/c1-7(12-13(2)9(10)14)8-5-3-4-6-11-8/h3-6H,1-2H3,(H2,10,14)
InChIKeyYOTQMQSKYXUIRO-UHFFFAOYSA-N
XLogP0.98
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-methyl-1-[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 20832604
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
N'-[amino(methyl)amino]pyridine-2-carboximidamide
CID 172923686
CID 152756166
CID 152756166
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
[(E)-1-pyridin-2-ylethylideneamino]methylthiourea
CID 145130202
1-pyridin-2-ylethanethione
CID 89010255
pyridine-2-carbothioamide;hydrochloride
CID 57440257
bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50919901
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea?
The IUPAC name of 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea (CID 71346320) is 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea.
What is the SMILES notation for 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea?
The canonical SMILES for 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea is CC(=NN(C)C(N)=S)c1ccccn1.
What is the InChIKey of 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea?
The InChIKey is YOTQMQSKYXUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7(12-13(2)9(10)14)8-5-3-4-6-11-8/h3-6H,1-2H3,(H2,10,14).
What are the key properties of 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea?
1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea has a molecular weight of 208.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea is sourced from PubChem (CID 71346320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).