[(2-oxochromene-3-carbonyl)amino]thiourea

C11H9N3O3S — CID 14494824

IUPAC[(2-oxochromene-3-carbonyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C11H9N3O3S/c12-11(18)14-13-9(15)7-5-6-3-1-2-4-8(6)17-10(7)16/h1-5H,(H,13,15)(H3,12,14,18)
InChIKeyUGOGYEBESPRNPF-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.27
Rot. Bonds1

About [(2-oxochromene-3-carbonyl)amino]thiourea

[(2-oxochromene-3-carbonyl)amino]thiourea (PubChem CID 14494824) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is [(2-oxochromene-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(2-oxochromene-3-carbonyl)amino]thiourea
PubChem CID14494824
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name[(2-oxochromene-3-carbonyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C11H9N3O3S/c12-11(18)14-13-9(15)7-5-6-3-1-2-4-8(6)17-10(7)16/h1-5H,(H,13,15)(H3,12,14,18)
InChIKeyUGOGYEBESPRNPF-UHFFFAOYSA-N
XLogP0.27
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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

N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
CID 599281
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
2-oxochromene-3-carboxylic acid
CID 161011590
N'-(1,3-benzodioxole-5-carbonyl)-2-oxochromene-3-carbohydrazide
CID 4686766
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(2-oxochromene-3-carbonyl)amino]thiourea
CID 11946375
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide
CID 7969966

Frequently Asked Questions

What is the IUPAC name of [(2-oxochromene-3-carbonyl)amino]thiourea?
The IUPAC name of [(2-oxochromene-3-carbonyl)amino]thiourea (CID 14494824) is [(2-oxochromene-3-carbonyl)amino]thiourea.
What is the SMILES notation for [(2-oxochromene-3-carbonyl)amino]thiourea?
The canonical SMILES for [(2-oxochromene-3-carbonyl)amino]thiourea is NC(=S)NNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of [(2-oxochromene-3-carbonyl)amino]thiourea?
The InChIKey is UGOGYEBESPRNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-11(18)14-13-9(15)7-5-6-3-1-2-4-8(6)17-10(7)16/h1-5H,(H,13,15)(H3,12,14,18).
What are the key properties of [(2-oxochromene-3-carbonyl)amino]thiourea?
[(2-oxochromene-3-carbonyl)amino]thiourea has a molecular weight of 263.28 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-oxochromene-3-carbonyl)amino]thiourea is sourced from PubChem (CID 14494824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).