1-imidazol-1-yl-3-phenylthiourea

C10H10N4S — CID 174434662

IUPAC1-imidazol-1-yl-3-phenylthiourea
SMILESS=C(Nc1ccccc1)Nn1ccnc1
InChIInChI=1S/C10H10N4S/c15-10(13-14-7-6-11-8-14)12-9-4-2-1-3-5-9/h1-8H,(H2,12,13,15)
InChIKeyFLUJPIXNQVOGLG-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.82
Rot. Bonds2

About 1-imidazol-1-yl-3-phenylthiourea

1-imidazol-1-yl-3-phenylthiourea (PubChem CID 174434662) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-phenylthiourea.

Molecular Properties

Compound Name1-imidazol-1-yl-3-phenylthiourea
PubChem CID174434662
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name1-imidazol-1-yl-3-phenylthiourea
SMILESS=C(Nc1ccccc1)Nn1ccnc1
InChIInChI=1S/C10H10N4S/c15-10(13-14-7-6-11-8-14)12-9-4-2-1-3-5-9/h1-8H,(H2,12,13,15)
InChIKeyFLUJPIXNQVOGLG-UHFFFAOYSA-N
XLogP1.82
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770
1-phenyl-3-(triazol-1-yl)thiourea
CID 154142642
1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 1481336
1-(4-fluorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 8655631
1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-phenylthiourea
CID 86577640
1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
1-(4-anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea
CID 941685
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
benzonitrile;4-(imidazol-1-ylamino)benzonitrile
CID 158279093
imidazol-1-ylcarbamothioic S-acid
CID 91807030
1-(methylamino)-3-phenylthiourea
CID 13456646

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-phenylthiourea?
The IUPAC name of 1-imidazol-1-yl-3-phenylthiourea (CID 174434662) is 1-imidazol-1-yl-3-phenylthiourea.
What is the SMILES notation for 1-imidazol-1-yl-3-phenylthiourea?
The canonical SMILES for 1-imidazol-1-yl-3-phenylthiourea is S=C(Nc1ccccc1)Nn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-phenylthiourea?
The InChIKey is FLUJPIXNQVOGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c15-10(13-14-7-6-11-8-14)12-9-4-2-1-3-5-9/h1-8H,(H2,12,13,15).
What are the key properties of 1-imidazol-1-yl-3-phenylthiourea?
1-imidazol-1-yl-3-phenylthiourea has a molecular weight of 218.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-phenylthiourea is sourced from PubChem (CID 174434662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).