[(Z)-4-phenylbutan-2-ylideneamino]thiourea

C11H15N3S — CID 5360785

IUPAC[(Z)-4-phenylbutan-2-ylideneamino]thiourea
SMILESC/C(CCc1ccccc1)=N/NC(N)=S
InChIInChI=1S/C11H15N3S/c1-9(13-14-11(12)15)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,12,14,15)/b13-9-
InChIKeyWZAXFTMBTLZLKA-LCYFTJDESA-N
MW221.33 g/mol
LogP1.83
Rot. Bonds4

About [(Z)-4-phenylbutan-2-ylideneamino]thiourea

[(Z)-4-phenylbutan-2-ylideneamino]thiourea (PubChem CID 5360785) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is [(Z)-4-phenylbutan-2-ylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-4-phenylbutan-2-ylideneamino]thiourea
PubChem CID5360785
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name[(Z)-4-phenylbutan-2-ylideneamino]thiourea
SMILESC/C(CCc1ccccc1)=N/NC(N)=S
InChIInChI=1S/C11H15N3S/c1-9(13-14-11(12)15)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,12,14,15)/b13-9-
InChIKeyWZAXFTMBTLZLKA-LCYFTJDESA-N
XLogP1.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze [(Z)-4-phenylbutan-2-ylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
[(E)-5-phenylpentan-2-ylideneamino]urea
CID 121008889
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
N-[(Z)-4-phenylbutan-2-ylideneamino]methanesulfonamide
CID 5333769
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
N-(diaminomethylidene)-3-phenylpropanethioamide
CID 135051861
(1-phenylethylideneamino)thiourea
CID 912962
[(E)-1,2-diphenylethylideneamino]thiourea
CID 52945875
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
N-(4-phenylbutan-2-ylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
CID 579777

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-phenylbutan-2-ylideneamino]thiourea?
The IUPAC name of [(Z)-4-phenylbutan-2-ylideneamino]thiourea (CID 5360785) is [(Z)-4-phenylbutan-2-ylideneamino]thiourea.
What is the SMILES notation for [(Z)-4-phenylbutan-2-ylideneamino]thiourea?
The canonical SMILES for [(Z)-4-phenylbutan-2-ylideneamino]thiourea is C/C(CCc1ccccc1)=N/NC(N)=S.
What is the InChIKey of [(Z)-4-phenylbutan-2-ylideneamino]thiourea?
The InChIKey is WZAXFTMBTLZLKA-LCYFTJDESA-N. The full InChI is InChI=1S/C11H15N3S/c1-9(13-14-11(12)15)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,12,14,15)/b13-9-.
What are the key properties of [(Z)-4-phenylbutan-2-ylideneamino]thiourea?
[(Z)-4-phenylbutan-2-ylideneamino]thiourea has a molecular weight of 221.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-phenylbutan-2-ylideneamino]thiourea is sourced from PubChem (CID 5360785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).