1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea

C21H24N4S — CID 24777890

IUPAC1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea
SMILESCC(C)(C)c1ccc2c(c1)CCC2NC(=S)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H24N4S/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyYUUDESVPIRVOGN-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.83
Rot. Bonds2

About 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea

1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea (PubChem CID 24777890) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea.

Molecular Properties

Compound Name1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea
PubChem CID24777890
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea
SMILESCC(C)(C)c1ccc2c(c1)CCC2NC(=S)Nc1cccc2[nH]ncc12
InChIInChI=1S/C21H24N4S/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyYUUDESVPIRVOGN-UHFFFAOYSA-N
XLogP4.83
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)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-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11244984
1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 24777768
1-[(1R,2S)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
CID 67188737
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-isoquinolin-5-ylurea
CID 11485180
1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea
CID 24804626
1-[4-(3,3-dimethylbutyl)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
CID 69456465
1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea
CID 66551491
1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
CID 11653471
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-[4-(trifluoromethyl)phenyl]cyclopentyl]urea
CID 66551873
1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea
CID 162200003
N-cyclopropyl-1H-indazol-4-amine
CID 103439210
4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid
CID 69114850

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea?
The IUPAC name of 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea (CID 24777890) is 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea.
What is the SMILES notation for 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea?
The canonical SMILES for 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea is CC(C)(C)c1ccc2c(c1)CCC2NC(=S)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea?
The InChIKey is YUUDESVPIRVOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26).
What are the key properties of 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea?
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea has a molecular weight of 364.52 g/mol, XLogP of 4.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea is sourced from PubChem (CID 24777890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).