1-anilino-1,3-diphenylthiourea

C19H17N3S — CID 71327325

IUPAC1-anilino-1,3-diphenylthiourea
SMILESS=C(Nc1ccccc1)N(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3S/c23-19(20-16-10-4-1-5-11-16)22(18-14-8-3-9-15-18)21-17-12-6-2-7-13-17/h1-15,21H,(H,20,23)
InChIKeyKQJFFMBDWKQZMK-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.92
Rot. Bonds4

About 1-anilino-1,3-diphenylthiourea

1-anilino-1,3-diphenylthiourea (PubChem CID 71327325) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-anilino-1,3-diphenylthiourea.

Molecular Properties

Compound Name1-anilino-1,3-diphenylthiourea
PubChem CID71327325
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name1-anilino-1,3-diphenylthiourea
SMILESS=C(Nc1ccccc1)N(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3S/c23-19(20-16-10-4-1-5-11-16)22(18-14-8-3-9-15-18)21-17-12-6-2-7-13-17/h1-15,21H,(H,20,23)
InChIKeyKQJFFMBDWKQZMK-UHFFFAOYSA-N
XLogP4.92
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_D(8)', '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-(dimethylamino)-1,3-diphenylthiourea
CID 174700414
N-phenyl-N-(phenylcarbamothioyl)formamide
CID 110272511
1,3-diphenyl-1-[[(2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxocyclohexyl]amino]thiourea
CID 123954286
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
1,1-bis(4-hydroxyphenyl)-3-phenylthiourea
CID 4673242
1,3-dimethyl-1-[N-(phenylcarbamothioyl)anilino]thiourea
CID 88817673
1-(aminosulfanylmethyl)-1,3-diphenylthiourea
CID 90755015
1-[(E)-phenacylideneamino]-1,3-diphenylthiourea
CID 15176490
1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
CID 5140739
2-phenoxy-N-phenyl-N-(phenylcarbamothioyl)acetamide
CID 87658528
1,1-dibutyl-3-phenylthiourea
CID 3101699
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
CID 115577646

Frequently Asked Questions

What is the IUPAC name of 1-anilino-1,3-diphenylthiourea?
The IUPAC name of 1-anilino-1,3-diphenylthiourea (CID 71327325) is 1-anilino-1,3-diphenylthiourea.
What is the SMILES notation for 1-anilino-1,3-diphenylthiourea?
The canonical SMILES for 1-anilino-1,3-diphenylthiourea is S=C(Nc1ccccc1)N(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-anilino-1,3-diphenylthiourea?
The InChIKey is KQJFFMBDWKQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c23-19(20-16-10-4-1-5-11-16)22(18-14-8-3-9-15-18)21-17-12-6-2-7-13-17/h1-15,21H,(H,20,23).
What are the key properties of 1-anilino-1,3-diphenylthiourea?
1-anilino-1,3-diphenylthiourea has a molecular weight of 319.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-1,3-diphenylthiourea is sourced from PubChem (CID 71327325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).