1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea

C8H10N4S — CID 4109336

IUPAC1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea
SMILESCNC(=S)NN=Cc1ccncc1
InChIInChI=1S/C8H10N4S/c1-9-8(13)12-11-6-7-2-4-10-5-3-7/h2-6H,1H3,(H2,9,12,13)
InChIKeyCGRQDRABWDRQCN-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.51
Rot. Bonds2

About 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea

1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea (PubChem CID 4109336) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea.

Molecular Properties

Compound Name1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea
PubChem CID4109336
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea
SMILESCNC(=S)NN=Cc1ccncc1
InChIInChI=1S/C8H10N4S/c1-9-8(13)12-11-6-7-2-4-10-5-3-7/h2-6H,1H3,(H2,9,12,13)
InChIKeyCGRQDRABWDRQCN-UHFFFAOYSA-N
XLogP0.51
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
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-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 55280342
1-[(4-fluorophenyl)methylideneamino]-3-methylthiourea
CID 3426780
1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea
CID 139086841
[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 6433252
1-[(4-tert-butylphenyl)methylideneamino]-3-methylthiourea
CID 3672540
1-methyl-3-[(E)-[3-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6903322
1-[(E)-(4-ethylphenyl)methylideneamino]-3-methylthiourea
CID 7575221
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
1-prop-2-enyl-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 7694999
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
N-methyl-2-[[4-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]ethanethioamide
CID 172956080
1-(3,4-dimethoxyphenyl)-3-(pyridin-4-ylmethylideneamino)thiourea
CID 5110693

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea?
The IUPAC name of 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea (CID 4109336) is 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea.
What is the SMILES notation for 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea?
The canonical SMILES for 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea is CNC(=S)NN=Cc1ccncc1.
What is the InChIKey of 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea?
The InChIKey is CGRQDRABWDRQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-9-8(13)12-11-6-7-2-4-10-5-3-7/h2-6H,1H3,(H2,9,12,13).
What are the key properties of 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea?
1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea has a molecular weight of 194.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea is sourced from PubChem (CID 4109336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).