[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea

C15H20N4S — CID 19040775

IUPAC[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
SMILESCN1CCCC1Cc1c[nH]c2ccc(NC(N)=S)cc12
InChIInChI=1S/C15H20N4S/c1-19-6-2-3-12(19)7-10-9-17-14-5-4-11(8-13(10)14)18-15(16)20/h4-5,8-9,12,17H,2-3,6-7H2,1H3,(H3,16,18,20)
InChIKeyQQPBZOOSNRSGGK-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.46
Rot. Bonds3

About [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea

[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea (PubChem CID 19040775) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea.

Molecular Properties

Compound Name[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
PubChem CID19040775
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
SMILESCN1CCCC1Cc1c[nH]c2ccc(NC(N)=S)cc12
InChIInChI=1S/C15H20N4S/c1-19-6-2-3-12(19)7-10-9-17-14-5-4-11(8-13(10)14)18-15(16)20/h4-5,8-9,12,17H,2-3,6-7H2,1H3,(H3,16,18,20)
InChIKeyQQPBZOOSNRSGGK-UHFFFAOYSA-N
XLogP2.46
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
3,4-dichloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11419238
N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 11177383
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896
3-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-nitrophenyl)-1H-indol-5-amine
CID 54387087
N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
CID 11486933
2-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11749539
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea?
The IUPAC name of [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea (CID 19040775) is [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea.
What is the SMILES notation for [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea?
The canonical SMILES for [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea is CN1CCCC1Cc1c[nH]c2ccc(NC(N)=S)cc12.
What is the InChIKey of [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea?
The InChIKey is QQPBZOOSNRSGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-19-6-2-3-12(19)7-10-9-17-14-5-4-11(8-13(10)14)18-15(16)20/h4-5,8-9,12,17H,2-3,6-7H2,1H3,(H3,16,18,20).
What are the key properties of [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea?
[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea has a molecular weight of 288.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea is sourced from PubChem (CID 19040775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).