1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea

C18H27FN4S — CID 17383880

IUPAC1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea
SMILESCCN(CC)CCCNC(=S)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H27FN4S/c1-3-23(4-2)11-5-9-20-18(24)21-10-8-14-13-22-17-12-15(19)6-7-16(14)17/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H2,20,21,24)
InChIKeyQNJXXEZNXQSUIJ-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.05
Rot. Bonds9

About 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea

1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea (PubChem CID 17383880) has the molecular formula C18H27FN4S and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea
PubChem CID17383880
Molecular FormulaC18H27FN4S
Molecular Weight350.51 g/mol
Exact Mass350.19
IUPAC Name1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea
SMILESCCN(CC)CCCNC(=S)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H27FN4S/c1-3-23(4-2)11-5-9-20-18(24)21-10-8-14-13-22-17-12-15(19)6-7-16(14)17/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H2,20,21,24)
InChIKeyQNJXXEZNXQSUIJ-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972056
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
1-[3-(dimethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111888705
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111973314
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111888575
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 8669325
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111888866

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea (CID 17383880) is 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea is CCN(CC)CCCNC(=S)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea?
The InChIKey is QNJXXEZNXQSUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4S/c1-3-23(4-2)11-5-9-20-18(24)21-10-8-14-13-22-17-12-15(19)6-7-16(14)17/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea?
1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea has a molecular weight of 350.51 g/mol, XLogP of 3.05, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea is sourced from PubChem (CID 17383880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).