N-[4-(phenylcarbamothioylamino)anilino]formamide

C14H14N4OS — CID 2724474

IUPACN-[4-(phenylcarbamothioylamino)anilino]formamide
SMILESO=CNNc1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N4OS/c19-10-15-18-13-8-6-12(7-9-13)17-14(20)16-11-4-2-1-3-5-11/h1-10,18H,(H,15,19)(H2,16,17,20)
InChIKeySKDQTLDBZMLKQA-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.57
Rot. Bonds5

About N-[4-(phenylcarbamothioylamino)anilino]formamide

N-[4-(phenylcarbamothioylamino)anilino]formamide (PubChem CID 2724474) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[4-(phenylcarbamothioylamino)anilino]formamide.

Molecular Properties

Compound NameN-[4-(phenylcarbamothioylamino)anilino]formamide
PubChem CID2724474
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[4-(phenylcarbamothioylamino)anilino]formamide
SMILESO=CNNc1ccc(NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C14H14N4OS/c19-10-15-18-13-8-6-12(7-9-13)17-14(20)16-11-4-2-1-3-5-11/h1-10,18H,(H,15,19)(H2,16,17,20)
InChIKeySKDQTLDBZMLKQA-UHFFFAOYSA-N
XLogP2.57
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(phenylcarbamothioylamino)anilino]formamide?
The IUPAC name of N-[4-(phenylcarbamothioylamino)anilino]formamide (CID 2724474) is N-[4-(phenylcarbamothioylamino)anilino]formamide.
What is the SMILES notation for N-[4-(phenylcarbamothioylamino)anilino]formamide?
The canonical SMILES for N-[4-(phenylcarbamothioylamino)anilino]formamide is O=CNNc1ccc(NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of N-[4-(phenylcarbamothioylamino)anilino]formamide?
The InChIKey is SKDQTLDBZMLKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-10-15-18-13-8-6-12(7-9-13)17-14(20)16-11-4-2-1-3-5-11/h1-10,18H,(H,15,19)(H2,16,17,20).
What are the key properties of N-[4-(phenylcarbamothioylamino)anilino]formamide?
N-[4-(phenylcarbamothioylamino)anilino]formamide has a molecular weight of 286.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenylcarbamothioylamino)anilino]formamide is sourced from PubChem (CID 2724474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).