1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea

C15H16N4S — CID 71552673

IUPAC1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea
SMILESCNC(=S)N/N=C(/c1ccccc1)c1cccc(C)n1
InChIInChI=1S/C15H16N4S/c1-11-7-6-10-13(17-11)14(18-19-15(20)16-2)12-8-4-3-5-9-12/h3-10H,1-2H3,(H2,16,19,20)/b18-14-
InChIKeyXNZMCKNQNNCJTD-JXAWBTAJSA-N
MW284.39 g/mol
LogP2.24
Rot. Bonds3

About 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea

1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea (PubChem CID 71552673) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea
PubChem CID71552673
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea
SMILESCNC(=S)N/N=C(/c1ccccc1)c1cccc(C)n1
InChIInChI=1S/C15H16N4S/c1-11-7-6-10-13(17-11)14(18-19-15(20)16-2)12-8-4-3-5-9-12/h3-10H,1-2H3,(H2,16,19,20)/b18-14-
InChIKeyXNZMCKNQNNCJTD-JXAWBTAJSA-N
XLogP2.24
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.24
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-[(E)-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methylidene]amino]-3-methylthiourea
CID 71552853
1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea
CID 167530471
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-methylthiourea
CID 54757236
1-methyl-3-[(E)-1-[3-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethylideneamino]thiourea
CID 139163904
1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 6509755
1-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-propylthiourea
CID 10069308
N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide
CID 162738340
chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
CID 50910622
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
1-(benzhydrylideneamino)-3-(2,3-dimethylphenyl)thiourea
CID 7942915
1-cyclohepta-1,3,5-trien-1-yl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 143919676
1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3037709

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea?
The IUPAC name of 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea (CID 71552673) is 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea.
What is the SMILES notation for 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea?
The canonical SMILES for 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea is CNC(=S)N/N=C(/c1ccccc1)c1cccc(C)n1.
What is the InChIKey of 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea?
The InChIKey is XNZMCKNQNNCJTD-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-7-6-10-13(17-11)14(18-19-15(20)16-2)12-8-4-3-5-9-12/h3-10H,1-2H3,(H2,16,19,20)/b18-14-.
What are the key properties of 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea?
1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea has a molecular weight of 284.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea is sourced from PubChem (CID 71552673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).