(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide

C16H15N3S — CID 167447331

IUPAC(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide
SMILES[H]/N=C/c1cccc(/N=C(N)/C=C(\S)c2ccccc2)c1
InChIInChI=1S/C16H15N3S/c17-11-12-5-4-8-14(9-12)19-16(18)10-15(20)13-6-2-1-3-7-13/h1-11,17,20H,(H2,18,19)/b15-10-,17-11+
InChIKeyDMNJLUIDGPAMJZ-JBOZTJCHSA-N
MW281.38 g/mol
LogP3.64
Rot. Bonds4

About (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide

(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide (PubChem CID 167447331) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide
PubChem CID167447331
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide
SMILES[H]/N=C/c1cccc(/N=C(N)/C=C(\S)c2ccccc2)c1
InChIInChI=1S/C16H15N3S/c17-11-12-5-4-8-14(9-12)19-16(18)10-15(20)13-6-2-1-3-7-13/h1-11,17,20H,(H2,18,19)/b15-10-,17-11+
InChIKeyDMNJLUIDGPAMJZ-JBOZTJCHSA-N
XLogP3.64
TPSA62.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-methanimidoylphenyl)ethanone
CID 89337497
3-methanimidoylaniline
CID 55281167
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
(4-methoxyphenyl)methanimine;phenylmethanimine
CID 157101664
N'-(4-amino-6-morpholin-4-ylpyrimidin-2-yl)benzenecarboximidamide;molecular hydrogen;phenylmethanimine
CID 142437698
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
methane;(4-phenylphenyl)methanimine;[4-(3-phenylphenyl)phenyl]methanimine;[4-[3-(3-phenylphenyl)phenyl]phenyl]methanimine;[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine
CID 167704574
phenylmethanimine;2H-tetrazole
CID 158034084
(Z)-2-amino-1-phenylethenethiol
CID 89189734
N'-[3-(dimethylamino)phenyl]benzenecarboximidamide
CID 113297943
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
N-benzylidenemethanimidamide
CID 142931024

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide?
The IUPAC name of (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide (CID 167447331) is (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide.
What is the SMILES notation for (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide?
The canonical SMILES for (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide is [H]/N=C/c1cccc(/N=C(N)/C=C(\S)c2ccccc2)c1.
What is the InChIKey of (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide?
The InChIKey is DMNJLUIDGPAMJZ-JBOZTJCHSA-N. The full InChI is InChI=1S/C16H15N3S/c17-11-12-5-4-8-14(9-12)19-16(18)10-15(20)13-6-2-1-3-7-13/h1-11,17,20H,(H2,18,19)/b15-10-,17-11+.
What are the key properties of (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide?
(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide has a molecular weight of 281.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide is sourced from PubChem (CID 167447331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).