1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea

C15H14N4S — CID 3437722

IUPAC1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C15H14N4S/c1-10-3-2-4-12(7-10)17-15(20)18-13-6-5-11-9-16-19-14(11)8-13/h2-9H,1H3,(H,16,19)(H2,17,18,20)
InChIKeyPMVABHHMKSQZQR-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.68
Rot. Bonds2

About 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea

1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea (PubChem CID 3437722) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea
PubChem CID3437722
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C15H14N4S/c1-10-3-2-4-12(7-10)17-15(20)18-13-6-5-11-9-16-19-14(11)8-13/h2-9H,1H3,(H,16,19)(H2,17,18,20)
InChIKeyPMVABHHMKSQZQR-UHFFFAOYSA-N
XLogP3.68
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-3-(1H-indazol-6-yl)thiourea
CID 2396748
1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
CID 4235162
1-(1H-indazol-6-yl)-3-(4-phenoxyphenyl)thiourea
CID 5115143
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(3-methylphenyl)-3-pyridin-4-ylthiourea
CID 19655574
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(1H-indazol-6-yl)thiourea
CID 5474899
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N-(1H-indazol-6-ylcarbamothioyl)furan-2-carboxamide
CID 91824430
1-(3-bromophenyl)-3-(3-methylphenyl)thiourea
CID 9234111
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-6-yl)thiourea
CID 2621151

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea (CID 3437722) is 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea is Cc1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea?
The InChIKey is PMVABHHMKSQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-3-2-4-12(7-10)17-15(20)18-13-6-5-11-9-16-19-14(11)8-13/h2-9H,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea?
1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea has a molecular weight of 282.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 3437722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).