1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea

C15H18N6S — CID 5481307

IUPAC1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
SMILESC/C(=N/NC(=S)N(C)CCc1ccccn1)c1cnccn1
InChIInChI=1S/C15H18N6S/c1-12(14-11-16-8-9-18-14)19-20-15(22)21(2)10-6-13-5-3-4-7-17-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,20,22)/b19-12-
InChIKeyXOBZUWSLRXMZNN-UNOMPAQXSA-N
MW314.42 g/mol
LogP1.64
Rot. Bonds5

About 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea

1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea (PubChem CID 5481307) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
PubChem CID5481307
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea
SMILESC/C(=N/NC(=S)N(C)CCc1ccccn1)c1cnccn1
InChIInChI=1S/C15H18N6S/c1-12(14-11-16-8-9-18-14)19-20-15(22)21(2)10-6-13-5-3-4-7-17-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,20,22)/b19-12-
InChIKeyXOBZUWSLRXMZNN-UNOMPAQXSA-N
XLogP1.64
TPSA66.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.64
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'}

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Related Compounds

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
1-[2-(dimethylamino)ethyl]-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
CID 58752142
[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375406
methyl(2-pyridin-2-ylethyl)carbamodithioic acid
CID 88510653
bromocopper(1+);1,1-dimethyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 50919901
1-methyl-3-[(E)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375900
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
methyl N-[(E)-1-pyrazin-2-ylethylideneamino]carbamodithioate
CID 13157216
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
3-(2,4-dimethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea
CID 17371348

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea?
The IUPAC name of 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea (CID 5481307) is 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea.
What is the SMILES notation for 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea?
The canonical SMILES for 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea is C/C(=N/NC(=S)N(C)CCc1ccccn1)c1cnccn1.
What is the InChIKey of 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea?
The InChIKey is XOBZUWSLRXMZNN-UNOMPAQXSA-N. The full InChI is InChI=1S/C15H18N6S/c1-12(14-11-16-8-9-18-14)19-20-15(22)21(2)10-6-13-5-3-4-7-17-13/h3-5,7-9,11H,6,10H2,1-2H3,(H,20,22)/b19-12-.
What are the key properties of 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea?
1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea has a molecular weight of 314.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-1-pyrazin-2-ylethylideneamino]-1-(2-pyridin-2-ylethyl)thiourea is sourced from PubChem (CID 5481307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).