1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea

C19H23N5S — CID 57380301

IUPAC1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
SMILESCN(C(=S)NN=C(c1ccccn1)c1ccccn1)C1CCCCC1
InChIInChI=1S/C19H23N5S/c1-24(15-9-3-2-4-10-15)19(25)23-22-18(16-11-5-7-13-20-16)17-12-6-8-14-21-17/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25)
InChIKeyGNLZNQJBZNOUBM-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.37
Rot. Bonds4

About 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea

1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea (PubChem CID 57380301) has the molecular formula C19H23N5S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
PubChem CID57380301
Molecular FormulaC19H23N5S
Molecular Weight353.49 g/mol
Exact Mass353.17
IUPAC Name1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea
SMILESCN(C(=S)NN=C(c1ccccn1)c1ccccn1)C1CCCCC1
InChIInChI=1S/C19H23N5S/c1-24(15-9-3-2-4-10-15)19(25)23-22-18(16-11-5-7-13-20-16)17-12-6-8-14-21-17/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25)
InChIKeyGNLZNQJBZNOUBM-UHFFFAOYSA-N
XLogP3.37
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea?
The IUPAC name of 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea (CID 57380301) is 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea?
The canonical SMILES for 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea is CN(C(=S)NN=C(c1ccccn1)c1ccccn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea?
The InChIKey is GNLZNQJBZNOUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-24(15-9-3-2-4-10-15)19(25)23-22-18(16-11-5-7-13-20-16)17-12-6-8-14-21-17/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25).
What are the key properties of 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea?
1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea has a molecular weight of 353.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea is sourced from PubChem (CID 57380301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).