1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea

C9H12N4S — CID 3005983

IUPAC1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCNC(=S)NN=C(C)c1ccccn1
InChIInChI=1S/C9H12N4S/c1-7(12-13-9(14)10-2)8-5-3-4-6-11-8/h3-6H,1-2H3,(H2,10,13,14)
InChIKeyKDNWDIABXHFHBK-UHFFFAOYSA-N
MW208.29 g/mol
LogP0.90
Rot. Bonds2

About 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea

1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea (PubChem CID 3005983) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Name1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
PubChem CID3005983
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
SMILESCNC(=S)NN=C(C)c1ccccn1
InChIInChI=1S/C9H12N4S/c1-7(12-13-9(14)10-2)8-5-3-4-6-11-8/h3-6H,1-2H3,(H2,10,13,14)
InChIKeyKDNWDIABXHFHBK-UHFFFAOYSA-N
XLogP0.90
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.90
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-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
copper 1-ethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910440
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
1-butan-2-yl-3-[(Z)-1-pyridin-2-ylethylideneamino]thiourea
CID 5468466
1-(furan-2-yl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
CID 175785204
1-(2-phenylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3351585
1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375900
1-(1-phenylethylideneamino)-3-[4-[(1-pyridin-2-ylethylideneamino)carbamothioylamino]butyl]thiourea
CID 3005018
1-(4-ethylphenyl)-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
CID 5367269
bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50919901
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-methylthiourea
CID 54757236

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The IUPAC name of 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea (CID 3005983) is 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea.
What is the SMILES notation for 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The canonical SMILES for 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea is CNC(=S)NN=C(C)c1ccccn1.
What is the InChIKey of 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
The InChIKey is KDNWDIABXHFHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7(12-13-9(14)10-2)8-5-3-4-6-11-8/h3-6H,1-2H3,(H2,10,13,14).
What are the key properties of 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea?
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea has a molecular weight of 208.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea is sourced from PubChem (CID 3005983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).