[(6-bromonaphthalene-2-carbonyl)amino]thiourea

C12H10BrN3OS — CID 113292814

IUPAC[(6-bromonaphthalene-2-carbonyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H10BrN3OS/c13-10-4-3-7-5-9(2-1-8(7)6-10)11(17)15-16-12(14)18/h1-6H,(H,15,17)(H3,14,16,18)
InChIKeyBOMOMKRWEJCZMD-UHFFFAOYSA-N
MW324.20 g/mol
LogP2.08
Rot. Bonds1

About [(6-bromonaphthalene-2-carbonyl)amino]thiourea

[(6-bromonaphthalene-2-carbonyl)amino]thiourea (PubChem CID 113292814) has the molecular formula C12H10BrN3OS and a molecular weight of 324.20 g/mol. Its IUPAC name is [(6-bromonaphthalene-2-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(6-bromonaphthalene-2-carbonyl)amino]thiourea
PubChem CID113292814
Molecular FormulaC12H10BrN3OS
Molecular Weight324.20 g/mol
Exact Mass322.97
IUPAC Name[(6-bromonaphthalene-2-carbonyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H10BrN3OS/c13-10-4-3-7-5-9(2-1-8(7)6-10)11(17)15-16-12(14)18/h1-6H,(H,15,17)(H3,14,16,18)
InChIKeyBOMOMKRWEJCZMD-UHFFFAOYSA-N
XLogP2.08
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.08
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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Related Compounds

6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-6-bromonaphthalene-2-carboxamide
CID 115353856
[(2,4-dibromobenzoyl)amino]thiourea
CID 107941941
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
N-acetyl-6-bromonaphthalene-2-carboxamide
CID 115353964
N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide
CID 176689257
(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea
CID 65216975
(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086

Frequently Asked Questions

What is the IUPAC name of [(6-bromonaphthalene-2-carbonyl)amino]thiourea?
The IUPAC name of [(6-bromonaphthalene-2-carbonyl)amino]thiourea (CID 113292814) is [(6-bromonaphthalene-2-carbonyl)amino]thiourea.
What is the SMILES notation for [(6-bromonaphthalene-2-carbonyl)amino]thiourea?
The canonical SMILES for [(6-bromonaphthalene-2-carbonyl)amino]thiourea is NC(=S)NNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of [(6-bromonaphthalene-2-carbonyl)amino]thiourea?
The InChIKey is BOMOMKRWEJCZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3OS/c13-10-4-3-7-5-9(2-1-8(7)6-10)11(17)15-16-12(14)18/h1-6H,(H,15,17)(H3,14,16,18).
What are the key properties of [(6-bromonaphthalene-2-carbonyl)amino]thiourea?
[(6-bromonaphthalene-2-carbonyl)amino]thiourea has a molecular weight of 324.20 g/mol, XLogP of 2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-bromonaphthalene-2-carbonyl)amino]thiourea is sourced from PubChem (CID 113292814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).