(2-tert-butyl-1H-indol-5-yl)thiourea

C13H17N3S — CID 169357034

IUPAC(2-tert-butyl-1H-indol-5-yl)thiourea
SMILESCC(C)(C)c1cc2cc(NC(N)=S)ccc2[nH]1
InChIInChI=1S/C13H17N3S/c1-13(2,3)11-7-8-6-9(15-12(14)17)4-5-10(8)16-11/h4-7,16H,1-3H3,(H3,14,15,17)
InChIKeyJZHFZOSLYQIGRI-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.12
Rot. Bonds1

About (2-tert-butyl-1H-indol-5-yl)thiourea

(2-tert-butyl-1H-indol-5-yl)thiourea (PubChem CID 169357034) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is (2-tert-butyl-1H-indol-5-yl)thiourea.

Molecular Properties

Compound Name(2-tert-butyl-1H-indol-5-yl)thiourea
PubChem CID169357034
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name(2-tert-butyl-1H-indol-5-yl)thiourea
SMILESCC(C)(C)c1cc2cc(NC(N)=S)ccc2[nH]1
InChIInChI=1S/C13H17N3S/c1-13(2,3)11-7-8-6-9(15-12(14)17)4-5-10(8)16-11/h4-7,16H,1-3H3,(H3,14,15,17)
InChIKeyJZHFZOSLYQIGRI-UHFFFAOYSA-N
XLogP3.12
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-tert-butyl-1H-indol-5-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

N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide
CID 142886342
5-bromo-2-tert-butyl-1H-indole
CID 65337909
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 134547462
CID 143559102
CID 143559102
N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 24762820
N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide
CID 46199555
CID 143559101
CID 143559101
4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide
CID 84581711
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
2-(methylamino)-N-(2-methyl-1H-indol-5-yl)acetamide
CID 83633877
N,2-dimethyl-1H-indol-5-amine
CID 12537594
[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea
CID 169357931

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1H-indol-5-yl)thiourea?
The IUPAC name of (2-tert-butyl-1H-indol-5-yl)thiourea (CID 169357034) is (2-tert-butyl-1H-indol-5-yl)thiourea.
What is the SMILES notation for (2-tert-butyl-1H-indol-5-yl)thiourea?
The canonical SMILES for (2-tert-butyl-1H-indol-5-yl)thiourea is CC(C)(C)c1cc2cc(NC(N)=S)ccc2[nH]1.
What is the InChIKey of (2-tert-butyl-1H-indol-5-yl)thiourea?
The InChIKey is JZHFZOSLYQIGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2,3)11-7-8-6-9(15-12(14)17)4-5-10(8)16-11/h4-7,16H,1-3H3,(H3,14,15,17).
What are the key properties of (2-tert-butyl-1H-indol-5-yl)thiourea?
(2-tert-butyl-1H-indol-5-yl)thiourea has a molecular weight of 247.37 g/mol, XLogP of 3.12, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1H-indol-5-yl)thiourea is sourced from PubChem (CID 169357034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).