N-(2-amino-5-phenylphenyl)methanethioamide

C13H12N2S — CID 22758743

IUPACN-(2-amino-5-phenylphenyl)methanethioamide
SMILESNc1ccc(-c2ccccc2)cc1NC=S
InChIInChI=1S/C13H12N2S/c14-12-7-6-11(8-13(12)15-9-16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKeyHUTZMFKJBSDTDP-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.30
Rot. Bonds3

About N-(2-amino-5-phenylphenyl)methanethioamide

N-(2-amino-5-phenylphenyl)methanethioamide (PubChem CID 22758743) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)methanethioamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)methanethioamide
PubChem CID22758743
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC NameN-(2-amino-5-phenylphenyl)methanethioamide
SMILESNc1ccc(-c2ccccc2)cc1NC=S
InChIInChI=1S/C13H12N2S/c14-12-7-6-11(8-13(12)15-9-16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKeyHUTZMFKJBSDTDP-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
4-[4-amino-3-(3-phenylanilino)phenyl]phenol
CID 88990792
2-N-(2-methoxyethyl)-4-phenylbenzene-1,2-diamine
CID 169488583
4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 68785076
(2,5-diphenylphenyl)hydrazine
CID 150697172
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-[2-amino-5-(4-ethenylphenyl)phenyl]benzamide
CID 46887334
aniline;4-(3,4-diaminophenyl)benzene-1,2-diamine
CID 160814118
3-(4-amino-3-anilinophenyl)benzoic acid
CID 58425607
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)methanethioamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)methanethioamide (CID 22758743) is N-(2-amino-5-phenylphenyl)methanethioamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)methanethioamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)methanethioamide is Nc1ccc(-c2ccccc2)cc1NC=S.
What is the InChIKey of N-(2-amino-5-phenylphenyl)methanethioamide?
The InChIKey is HUTZMFKJBSDTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c14-12-7-6-11(8-13(12)15-9-16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16).
What are the key properties of N-(2-amino-5-phenylphenyl)methanethioamide?
N-(2-amino-5-phenylphenyl)methanethioamide has a molecular weight of 228.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)methanethioamide is sourced from PubChem (CID 22758743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).