(1H-indole-2-carbonylamino)thiourea

C10H10N4OS — CID 15483527

IUPAC(1H-indole-2-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H10N4OS/c11-10(16)14-13-9(15)8-5-6-3-1-2-4-7(6)12-8/h1-5,12H,(H,13,15)(H3,11,14,16)
InChIKeyAHSOFUKSHWGGAF-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.65
Rot. Bonds1

About (1H-indole-2-carbonylamino)thiourea

(1H-indole-2-carbonylamino)thiourea (PubChem CID 15483527) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is (1H-indole-2-carbonylamino)thiourea.

Molecular Properties

Compound Name(1H-indole-2-carbonylamino)thiourea
PubChem CID15483527
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name(1H-indole-2-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H10N4OS/c11-10(16)14-13-9(15)8-5-6-3-1-2-4-7(6)12-8/h1-5,12H,(H,13,15)(H3,11,14,16)
InChIKeyAHSOFUKSHWGGAF-UHFFFAOYSA-N
XLogP0.65
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.65
H-Bond Donors ≤ 54
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

1-benzyl-3-(1H-indole-2-carbonylamino)thiourea
CID 29360278
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-(4-carbamoyl-1H-pyrazol-5-yl)-1H-indole-2-carboxamide
CID 110474036
N'-(2-phenylethyl)-1H-indole-2-carbohydrazide
CID 155552578
2-(sulfinatocarbamoyl)-1H-indole
CID 174607158
N-[N'-(3-aminopropyl)carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216346
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 67645013
N-[N'-[3-(dimethylamino)propyl]carbamimidoyl]-1H-indole-2-carboxamide;dihydrochloride
CID 70216341
N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide
CID 70373696
N-(N'-propylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213587

Frequently Asked Questions

What is the IUPAC name of (1H-indole-2-carbonylamino)thiourea?
The IUPAC name of (1H-indole-2-carbonylamino)thiourea (CID 15483527) is (1H-indole-2-carbonylamino)thiourea.
What is the SMILES notation for (1H-indole-2-carbonylamino)thiourea?
The canonical SMILES for (1H-indole-2-carbonylamino)thiourea is NC(=S)NNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (1H-indole-2-carbonylamino)thiourea?
The InChIKey is AHSOFUKSHWGGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-10(16)14-13-9(15)8-5-6-3-1-2-4-7(6)12-8/h1-5,12H,(H,13,15)(H3,11,14,16).
What are the key properties of (1H-indole-2-carbonylamino)thiourea?
(1H-indole-2-carbonylamino)thiourea has a molecular weight of 234.28 g/mol, XLogP of 0.65, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1H-indole-2-carbonylamino)thiourea is sourced from PubChem (CID 15483527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).