1-phenyl-3-(phenylcarbamothioylamino)urea

C14H14N4OS — CID 730464

IUPAC1-phenyl-3-(phenylcarbamothioylamino)urea
SMILESO=C(NNC(=S)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H14N4OS/c19-13(15-11-7-3-1-4-8-11)17-18-14(20)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17,19)(H2,16,18,20)
InChIKeyMUDYJQGNHGRZBW-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.71
Rot. Bonds2

About 1-phenyl-3-(phenylcarbamothioylamino)urea

1-phenyl-3-(phenylcarbamothioylamino)urea (PubChem CID 730464) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-phenyl-3-(phenylcarbamothioylamino)urea.

Molecular Properties

Compound Name1-phenyl-3-(phenylcarbamothioylamino)urea
PubChem CID730464
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name1-phenyl-3-(phenylcarbamothioylamino)urea
SMILESO=C(NNC(=S)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H14N4OS/c19-13(15-11-7-3-1-4-8-11)17-18-14(20)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17,19)(H2,16,18,20)
InChIKeyMUDYJQGNHGRZBW-UHFFFAOYSA-N
XLogP2.71
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenylthiourea
CID 700999
Carbanilide
CID 7595
Hydrazinecarbothioamide, N-phenyl-
CID 730679
N-(3-Fluorophenyl)hydrazinecarbothioamide
CID 2737499
4-Phenylsemicarbazide
CID 10837
Hydrazinecarboxamide, N,2-diphenyl-
CID 69299
4-Phenylsemicarbazide hydrochloride
CID 79505
N,2-Diphenylhydrazinecarbothioamide
CID 775364
2-Phenyl-1,2,4-triazaspiro[4.5]dec-3-ene-3-thiol
CID 749973
2-acetyl-N-(3-fluorophenyl)hydrazinecarbothioamide
CID 2819305
methyl N-(phenylcarbamothioylamino)carbamate
CID 730701
1,1-Dimethyl-4-phenylthiosemicarbazide
CID 3034493

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(phenylcarbamothioylamino)urea?
The IUPAC name of 1-phenyl-3-(phenylcarbamothioylamino)urea (CID 730464) is 1-phenyl-3-(phenylcarbamothioylamino)urea.
What is the SMILES notation for 1-phenyl-3-(phenylcarbamothioylamino)urea?
The canonical SMILES for 1-phenyl-3-(phenylcarbamothioylamino)urea is O=C(NNC(=S)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(phenylcarbamothioylamino)urea?
The InChIKey is MUDYJQGNHGRZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-13(15-11-7-3-1-4-8-11)17-18-14(20)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17,19)(H2,16,18,20).
What are the key properties of 1-phenyl-3-(phenylcarbamothioylamino)urea?
1-phenyl-3-(phenylcarbamothioylamino)urea has a molecular weight of 286.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(phenylcarbamothioylamino)urea is sourced from PubChem (CID 730464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).