3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea

C11H17N5S — CID 155804403

IUPAC3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea
SMILESCCc1nccnc1/C(C)=N/NC(=S)N(C)C
InChIInChI=1S/C11H17N5S/c1-5-9-10(13-7-6-12-9)8(2)14-15-11(17)16(3)4/h6-7H,5H2,1-4H3,(H,15,17)/b14-8+
InChIKeyBVAGAVVALZOQNX-RIYZIHGNSA-N
MW251.36 g/mol
LogP1.20
Rot. Bonds3

About 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea

3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea (PubChem CID 155804403) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea.

Molecular Properties

Compound Name3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea
PubChem CID155804403
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea
SMILESCCc1nccnc1/C(C)=N/NC(=S)N(C)C
InChIInChI=1S/C11H17N5S/c1-5-9-10(13-7-6-12-9)8(2)14-15-11(17)16(3)4/h6-7H,5H2,1-4H3,(H,15,17)/b14-8+
InChIKeyBVAGAVVALZOQNX-RIYZIHGNSA-N
XLogP1.20
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
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'}

Analyze 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea 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

bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50919901
3-[(E)-1-[4-(2-methoxyethoxymethyl)-2-pyridinyl]ethylideneamino]-1,1-dimethylthiourea
CID 155235293
3-[(E)-1-[6-[(Z)-N-(diethylcarbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-1,1-diethylthiourea
CID 5465930
[1-(3-methylpyrazin-2-yl)ethylideneamino]urea
CID 102670841
3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea
CID 6411976
gallium 3-[(Z)-[1-[6-[(Z)-C-acetyl-N-(dimethylcarbamothioylamino)carbonimidoyl]-2-pyridinyl]-2-oxopropylidene]amino]-1,1-dimethylthiourea
CID 71492936
3-[[1-(diethylcarbamothioylhydrazinylidene)-1-pyrimidin-2-ylpropan-2-ylidene]amino]-1,1-diethylthiourea
CID 158465057
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
CID 5481307
copper 1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910226
3-[(E)-[(2E)-2-(dimethylcarbamothioylhydrazinylidene)-1-phenylethylidene]amino]-1,1-dimethylthiourea
CID 6399992
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
CID 13157216
dichlorocopper;1-methyl-1-(2-pyridin-2-ylethyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50910564

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea?
The IUPAC name of 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea (CID 155804403) is 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea.
What is the SMILES notation for 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea?
The canonical SMILES for 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea is CCc1nccnc1/C(C)=N/NC(=S)N(C)C.
What is the InChIKey of 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea?
The InChIKey is BVAGAVVALZOQNX-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H17N5S/c1-5-9-10(13-7-6-12-9)8(2)14-15-11(17)16(3)4/h6-7H,5H2,1-4H3,(H,15,17)/b14-8+.
What are the key properties of 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea?
3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea has a molecular weight of 251.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-(3-ethylpyrazin-2-yl)ethylideneamino]-1,1-dimethylthiourea is sourced from PubChem (CID 155804403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).