1-naphthalen-1-yl-3-phenylthiourea

C17H14N2S — CID 828128

IUPAC1-naphthalen-1-yl-3-phenylthiourea
SMILESS=C(Nc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C17H14N2S/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H2,18,19,20)
InChIKeyGYAYLPVAZFFNTR-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.65
Rot. Bonds2

About 1-naphthalen-1-yl-3-phenylthiourea

1-naphthalen-1-yl-3-phenylthiourea (PubChem CID 828128) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-phenylthiourea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-phenylthiourea
PubChem CID828128
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name1-naphthalen-1-yl-3-phenylthiourea
SMILESS=C(Nc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C17H14N2S/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H2,18,19,20)
InChIKeyGYAYLPVAZFFNTR-UHFFFAOYSA-N
XLogP4.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680322
1-phenyl-3-[(1R)-2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]urea
CID 2302561
1-(3-fluoro-2-methylphenyl)-3-naphthalen-1-ylthiourea
CID 977420
1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea
CID 40546386
1-naphthalen-1-yl-3-(2,3,5,6-tetrafluorophenyl)thiourea
CID 17298792
1-cinnolin-8-yl-3-phenylthiourea
CID 173148120
1-(2,1-benzoxazol-6-yl)-3-naphthalen-1-ylthiourea
CID 126212523
1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea
CID 15758488
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-(3-chloro-2-hydroxyphenyl)-3-phenylthiourea
CID 87654984
1-phenyl-3-[2-[2-[2-(phenylcarbamothioylamino)phenoxy]ethoxy]phenyl]thiourea
CID 10346407
1-(4,6-dimethyl-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 971924

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-phenylthiourea?
The IUPAC name of 1-naphthalen-1-yl-3-phenylthiourea (CID 828128) is 1-naphthalen-1-yl-3-phenylthiourea.
What is the SMILES notation for 1-naphthalen-1-yl-3-phenylthiourea?
The canonical SMILES for 1-naphthalen-1-yl-3-phenylthiourea is S=C(Nc1ccccc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-phenylthiourea?
The InChIKey is GYAYLPVAZFFNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,(H2,18,19,20).
What are the key properties of 1-naphthalen-1-yl-3-phenylthiourea?
1-naphthalen-1-yl-3-phenylthiourea has a molecular weight of 278.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-phenylthiourea is sourced from PubChem (CID 828128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).