1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea

C19H17N3OS — CID 721808

IUPAC1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea
SMILESO=C(Cc1cccc2ccccc12)NNC(=S)Nc1ccccc1
InChIInChI=1S/C19H17N3OS/c23-18(21-22-19(24)20-16-10-2-1-3-11-16)13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2,(H,21,23)(H2,20,22,24)
InChIKeyXRSNDUPLOIMYGH-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.40
Rot. Bonds3

About 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea

1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea (PubChem CID 721808) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea
PubChem CID721808
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea
SMILESO=C(Cc1cccc2ccccc12)NNC(=S)Nc1ccccc1
InChIInChI=1S/C19H17N3OS/c23-18(21-22-19(24)20-16-10-2-1-3-11-16)13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2,(H,21,23)(H2,20,22,24)
InChIKeyXRSNDUPLOIMYGH-UHFFFAOYSA-N
XLogP3.40
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.40
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea?
The IUPAC name of 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea (CID 721808) is 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea.
What is the SMILES notation for 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea?
The canonical SMILES for 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea is O=C(Cc1cccc2ccccc12)NNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea?
The InChIKey is XRSNDUPLOIMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-18(21-22-19(24)20-16-10-2-1-3-11-16)13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea?
1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea has a molecular weight of 335.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-naphthalen-1-ylacetyl)amino]-3-phenylthiourea is sourced from PubChem (CID 721808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).