1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea

C17H14N4OS — CID 154695763

IUPAC1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea
SMILESNN(C(=O)c1ccccn1)C(=S)Nc1cccc2ccccc12
InChIInChI=1S/C17H14N4OS/c18-21(16(22)15-9-3-4-11-19-15)17(23)20-14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,18H2,(H,20,23)
InChIKeyAGKPBQZSKJGGNB-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.95
Rot. Bonds2

About 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea

1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea (PubChem CID 154695763) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea.

Molecular Properties

Compound Name1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea
PubChem CID154695763
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea
SMILESNN(C(=O)c1ccccn1)C(=S)Nc1cccc2ccccc12
InChIInChI=1S/C17H14N4OS/c18-21(16(22)15-9-3-4-11-19-15)17(23)20-14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,18H2,(H,20,23)
InChIKeyAGKPBQZSKJGGNB-UHFFFAOYSA-N
XLogP2.95
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-(pyridine-2-carbonyl)-3-(thiophen-2-ylmethyl)thiourea
CID 89443048
N-naphthalen-1-yl-2-pyridin-2-ylacetamide
CID 110468215
4-amino-N-naphthalen-1-ylpyridine-2-carboxamide
CID 62152141
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
3-naphthalen-1-yl-1,1-dipropylthiourea
CID 19653014
N-methylpyridine-2-carbohydrazide
CID 45084309
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea?
The IUPAC name of 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea (CID 154695763) is 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea.
What is the SMILES notation for 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea?
The canonical SMILES for 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea is NN(C(=O)c1ccccn1)C(=S)Nc1cccc2ccccc12.
What is the InChIKey of 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea?
The InChIKey is AGKPBQZSKJGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c18-21(16(22)15-9-3-4-11-19-15)17(23)20-14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,18H2,(H,20,23).
What are the key properties of 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea?
1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea has a molecular weight of 322.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-naphthalen-1-yl-1-(pyridine-2-carbonyl)thiourea is sourced from PubChem (CID 154695763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).