1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea

C17H22N6S — CID 58752142

IUPAC1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
SMILESCN(C)CCN(C)C(=S)NN=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C17H22N6S/c1-22(2)12-13-23(3)17(24)21-20-16(14-8-4-6-10-18-14)15-9-5-7-11-19-15/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyCRJTWRQENWQLEF-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.60
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea

1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea (PubChem CID 58752142) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
PubChem CID58752142
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
SMILESCN(C)CCN(C)C(=S)NN=C(c1ccccn1)c1ccccn1
InChIInChI=1S/C17H22N6S/c1-22(2)12-13-23(3)17(24)21-20-16(14-8-4-6-10-18-14)15-9-5-7-11-19-15/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyCRJTWRQENWQLEF-UHFFFAOYSA-N
XLogP1.60
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dipyridin-2-ylmethylideneamino)-1-methyl-1-propan-2-ylthiourea
CID 145284856
copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910226
dichlorocopper;1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910564
dichlorocopper;1,1-diethyl-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005727
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
1-N,4-N-bis(dipyridin-2-ylmethylideneamino)piperazine-1,4-dicarbothioamide
CID 101026820
bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50919901
1-(dipyridin-2-ylmethylideneamino)-3-ethylthiourea;1-(dipyridin-2-ylmethylideneamino)-3-prop-2-enylthiourea
CID 158902035
bis(N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate);manganese(2+)
CID 25193515
N-(dipyridin-2-ylmethylideneamino)-4-methylpiperazine-1-carbothioamide
CID 42636950
1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 6509755
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea (CID 58752142) is 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea is CN(C)CCN(C)C(=S)NN=C(c1ccccn1)c1ccccn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea?
The InChIKey is CRJTWRQENWQLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-22(2)12-13-23(3)17(24)21-20-16(14-8-4-6-10-18-14)15-9-5-7-11-19-15/h4-11H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea?
1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea has a molecular weight of 342.47 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea is sourced from PubChem (CID 58752142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).