1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea

C19H23N3S — CID 100678157

IUPAC1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1
InChIInChI=1S/C19H23N3S/c1-15-7-9-17(10-8-15)21-19(23)20-12-4-13-22-14-11-16-5-2-3-6-18(16)22/h2-3,5-10H,4,11-14H2,1H3,(H2,20,21,23)
InChIKeyDBRPBRLLBOQLRW-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.73
Rot. Bonds5

About 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea

1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea (PubChem CID 100678157) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea
PubChem CID100678157
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1
InChIInChI=1S/C19H23N3S/c1-15-7-9-17(10-8-15)21-19(23)20-12-4-13-22-14-11-16-5-2-3-6-18(16)22/h2-3,5-10H,4,11-14H2,1H3,(H2,20,21,23)
InChIKeyDBRPBRLLBOQLRW-UHFFFAOYSA-N
XLogP3.73
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_A(12)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,3-dihydroindol-1-yl)propyl]-3-phenylthiourea
CID 100678118
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(2,3-dihydroindol-1-yl)propyl]thiourea
CID 100678642
methyl N-[4-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 71893155
1-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]thiourea
CID 100741827
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100742318
1-[3-(azepan-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 94876840
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
ethyl 3-[3-(3,4-dihydro-2H-quinolin-1-yl)propylcarbamothioylamino]benzoate
CID 100742115
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea (CID 100678157) is 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1.
What is the InChIKey of 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea?
The InChIKey is DBRPBRLLBOQLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-15-7-9-17(10-8-15)21-19(23)20-12-4-13-22-14-11-16-5-2-3-6-18(16)22/h2-3,5-10H,4,11-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea?
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea has a molecular weight of 325.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroindol-1-yl)propyl]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 100678157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).