1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea

C15H14N4OS — CID 2621239

IUPAC1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H14N4OS/c1-20-14-5-3-2-4-12(14)18-15(21)17-11-7-6-10-9-16-19-13(10)8-11/h2-9H,1H3,(H,16,19)(H2,17,18,21)
InChIKeyBHXUKRNXOYKZRF-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.38
Rot. Bonds3

About 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea

1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea (PubChem CID 2621239) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea
PubChem CID2621239
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H14N4OS/c1-20-14-5-3-2-4-12(14)18-15(21)17-11-7-6-10-9-16-19-13(10)8-11/h2-9H,1H3,(H,16,19)(H2,17,18,21)
InChIKeyBHXUKRNXOYKZRF-UHFFFAOYSA-N
XLogP3.38
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea (CID 2621239) is 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea?
The InChIKey is BHXUKRNXOYKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-20-14-5-3-2-4-12(14)18-15(21)17-11-7-6-10-9-16-19-13(10)8-11/h2-9H,1H3,(H,16,19)(H2,17,18,21).
What are the key properties of 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea?
1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea has a molecular weight of 298.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 2621239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).