1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea

C14H12FN3S — CID 6240099

IUPAC1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea
SMILESFc1cccc(/C=N\NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C14H12FN3S/c15-12-6-4-5-11(9-12)10-16-18-14(19)17-13-7-2-1-3-8-13/h1-10H,(H2,17,18,19)/b16-10-
InChIKeyCNALVZBMRXTRBV-YBEGLDIGSA-N
MW273.34 g/mol
LogP3.15
Rot. Bonds3

About 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea

1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea (PubChem CID 6240099) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea
PubChem CID6240099
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea
SMILESFc1cccc(/C=N\NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C14H12FN3S/c15-12-6-4-5-11(9-12)10-16-18-14(19)17-13-7-2-1-3-8-13/h1-10H,(H2,17,18,19)/b16-10-
InChIKeyCNALVZBMRXTRBV-YBEGLDIGSA-N
XLogP3.15
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.15
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'}

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Related Compounds

1-[(Z)-(3-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7966012
1-(3,4-dimethoxyphenyl)-3-[(3-fluorophenyl)methylideneamino]thiourea
CID 4241730
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-phenylthiourea
CID 136786868
1-(6-chlorocyclohexa-1,5-dien-1-yl)-3-[(E)-(3-fluorophenyl)methylideneamino]thiourea
CID 144523388
1-[(4-bromophenyl)methylideneamino]-3-phenylthiourea
CID 909294
1-[(E)-(4-ethylphenyl)methylideneamino]-3-phenylthiourea
CID 7264044
1-(4-fluorophenyl)-3-[(E)-(4-phenoxyphenyl)methylideneamino]thiourea
CID 56971231
1-(4-methoxyphenyl)-3-[(Z)-(3-phenoxyphenyl)methylideneamino]thiourea
CID 7934021
1-[(3-bromophenyl)methylideneamino]-3-(4-chlorophenyl)thiourea
CID 123276505
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 135441799
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3680304
1-[(Z)-naphthalen-1-ylmethylideneamino]-3-phenylthiourea
CID 5417284

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea (CID 6240099) is 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea is Fc1cccc(/C=N\NC(=S)Nc2ccccc2)c1.
What is the InChIKey of 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea?
The InChIKey is CNALVZBMRXTRBV-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-12-6-4-5-11(9-12)10-16-18-14(19)17-13-7-2-1-3-8-13/h1-10H,(H2,17,18,19)/b16-10-.
What are the key properties of 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea?
1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea has a molecular weight of 273.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea is sourced from PubChem (CID 6240099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).