1-[(E)-2-aminopropylideneamino]-3-phenylthiourea

C10H14N4S — CID 58684536

IUPAC1-[(E)-2-aminopropylideneamino]-3-phenylthiourea
SMILESCC(N)/C=N/NC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N4S/c1-8(11)7-12-14-10(15)13-9-5-3-2-4-6-9/h2-8H,11H2,1H3,(H2,13,14,15)/b12-7+
InChIKeyNNJCZKJCPFQMOD-KPKJPENVSA-N
MW222.32 g/mol
LogP1.31
Rot. Bonds3

About 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea

1-[(E)-2-aminopropylideneamino]-3-phenylthiourea (PubChem CID 58684536) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(E)-2-aminopropylideneamino]-3-phenylthiourea
PubChem CID58684536
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-[(E)-2-aminopropylideneamino]-3-phenylthiourea
SMILESCC(N)/C=N/NC(=S)Nc1ccccc1
InChIInChI=1S/C10H14N4S/c1-8(11)7-12-14-10(15)13-9-5-3-2-4-6-9/h2-8H,11H2,1H3,(H2,13,14,15)/b12-7+
InChIKeyNNJCZKJCPFQMOD-KPKJPENVSA-N
XLogP1.31
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
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)-ethylideneamino]-3-phenylthiourea
CID 12593777
1-[(E)-2,2-dimethylpropylideneamino]-3-phenylthiourea
CID 131990820
1-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-phenylthiourea
CID 3461984
1-phenyl-3-[3-(phenylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 54406918
1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
CID 6231259
1-[(E)-[2-hydroxy-5-methyl-3-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]-3-phenylthiourea
CID 135519262
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-[(E)-(4-ethylphenyl)methylideneamino]-3-phenylthiourea
CID 7264044
1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea
CID 6240099
1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
CID 909294
1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
CID 137250068
1-(4-methylphenyl)-3-(2-phenylethylideneamino)thiourea
CID 4922452

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea (CID 58684536) is 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea is CC(N)/C=N/NC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea?
The InChIKey is NNJCZKJCPFQMOD-KPKJPENVSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8(11)7-12-14-10(15)13-9-5-3-2-4-6-9/h2-8H,11H2,1H3,(H2,13,14,15)/b12-7+.
What are the key properties of 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea?
1-[(E)-2-aminopropylideneamino]-3-phenylthiourea has a molecular weight of 222.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-aminopropylideneamino]-3-phenylthiourea is sourced from PubChem (CID 58684536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).