1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea

C10H12N4S — CID 14690561

IUPAC1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
SMILESNNC(=S)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H12N4S/c11-13-10(15)14-12-8-4-7-9-5-2-1-3-6-9/h1-8H,11H2,(H2,13,14,15)/b7-4+,12-8+
InChIKeyWJDSEMSMACPLTP-HCFISPQYSA-N
MW220.30 g/mol
LogP1.02
Rot. Bonds3

About 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea

1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea (PubChem CID 14690561) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea.

Molecular Properties

Compound Name1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
PubChem CID14690561
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
SMILESNNC(=S)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H12N4S/c11-13-10(15)14-12-8-4-7-9-5-2-1-3-6-9/h1-8H,11H2,(H2,13,14,15)/b7-4+,12-8+
InChIKeyWJDSEMSMACPLTP-HCFISPQYSA-N
XLogP1.02
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-3-[(Z)-benzylideneamino]thiourea
CID 6082956
1-(2-methylphenyl)-3-[[(Z)-3-phenylprop-2-enylidene]amino]thiourea
CID 129432045
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
1,3-bis(cinnamylideneamino)urea
CID 2823909
1-(1-adamantyl)-3-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]thiourea
CID 92523804
1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
CID 86279058
1-(3-chloro-2-methylphenyl)-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 18274297
1-[(4-methoxyphenyl)methyl]-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 9176276
1-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 44665707
1-[(E)-benzylideneamino]-3-hydroxythiourea
CID 16729007

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea?
The IUPAC name of 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea (CID 14690561) is 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea.
What is the SMILES notation for 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea?
The canonical SMILES for 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea is NNC(=S)N/N=C/C=C/c1ccccc1.
What is the InChIKey of 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea?
The InChIKey is WJDSEMSMACPLTP-HCFISPQYSA-N. The full InChI is InChI=1S/C10H12N4S/c11-13-10(15)14-12-8-4-7-9-5-2-1-3-6-9/h1-8H,11H2,(H2,13,14,15)/b7-4+,12-8+.
What are the key properties of 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea?
1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea has a molecular weight of 220.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea is sourced from PubChem (CID 14690561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).