2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen

C16H18N4S — CID 143370621

IUPAC2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen
SMILES[H]/N=C/c1cc(Nc2ncc(-c3ccccc3)s2)ccc1N.[H][H].[H][H]
InChIInChI=1S/C16H14N4S.2H2/c17-9-12-8-13(6-7-14(12)18)20-16-19-10-15(21-16)11-4-2-1-3-5-11;;/h1-10,17H,18H2,(H,19,20);2*1H/b17-9+;;
InChIKeyUXEHWCHIEKQHIW-CECDQNOMSA-N
MW298.41 g/mol
LogP4.63
Rot. Bonds4

About 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen

2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen (PubChem CID 143370621) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen.

Molecular Properties

Compound Name2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen
PubChem CID143370621
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen
SMILES[H]/N=C/c1cc(Nc2ncc(-c3ccccc3)s2)ccc1N.[H][H].[H][H]
InChIInChI=1S/C16H14N4S.2H2/c17-9-12-8-13(6-7-14(12)18)20-16-19-10-15(21-16)11-4-2-1-3-5-11;;/h1-10,17H,18H2,(H,19,20);2*1H/b17-9+;;
InChIKeyUXEHWCHIEKQHIW-CECDQNOMSA-N
XLogP4.63
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen?
The IUPAC name of 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen (CID 143370621) is 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen.
What is the SMILES notation for 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen?
The canonical SMILES for 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen is [H]/N=C/c1cc(Nc2ncc(-c3ccccc3)s2)ccc1N.[H][H].[H][H].
What is the InChIKey of 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen?
The InChIKey is UXEHWCHIEKQHIW-CECDQNOMSA-N. The full InChI is InChI=1S/C16H14N4S.2H2/c17-9-12-8-13(6-7-14(12)18)20-16-19-10-15(21-16)11-4-2-1-3-5-11;;/h1-10,17H,18H2,(H,19,20);2*1H/b17-9+;;.
What are the key properties of 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen?
2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen has a molecular weight of 298.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-4-N-(5-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine;molecular hydrogen is sourced from PubChem (CID 143370621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).