1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

C18H21N3OS — CID 4197619

IUPAC1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
SMILESCNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccco1
InChIInChI=1S/C18H21N3OS/c1-13-15(16-7-3-4-8-17(16)20-13)9-10-21(18(23)19-2)12-14-6-5-11-22-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,23)
InChIKeyQFRSUKHLKLKVMF-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.62
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea

1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea (PubChem CID 4197619) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
PubChem CID4197619
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
SMILESCNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccco1
InChIInChI=1S/C18H21N3OS/c1-13-15(16-7-3-4-8-17(16)20-13)9-10-21(18(23)19-2)12-14-6-5-11-22-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,23)
InChIKeyQFRSUKHLKLKVMF-UHFFFAOYSA-N
XLogP3.62
TPSA44.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(9H-carbazol-9-yl)-3-(((furan-2-yl)methyl)amino)propan-2-ol
CID 652652
N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 25459838
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride
CID 2770995
2-(2,5-dimethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)ethan-1-amine hydrochloride
CID 2770996
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-N-(2-furylmethyl)-N'-methylthiourea
CID 3372572
1-[2-(2,5-Dimethyl-1H-indol-3-YL)ethyl]-1-[(furan-2-YL)methyl]-3-(2-methoxyethyl)thiourea
CID 4096357
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117518
Furan-2-ylmethyl-[2-(1H-indol-3-yl)-ethyl]-amine oxalate
CID 23724322
(E)-N-(2-(2-((2-methyl-1H-indol-3-yl)methylene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135650466
N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 744531
2-(4-(furan-2-carbonyl)piperazin-1-yl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 2016055
N-(2-furylmethyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720934

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea (CID 4197619) is 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea is CNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea?
The InChIKey is QFRSUKHLKLKVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13-15(16-7-3-4-8-17(16)20-13)9-10-21(18(23)19-2)12-14-6-5-11-22-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,23).
What are the key properties of 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea?
1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea has a molecular weight of 327.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea is sourced from PubChem (CID 4197619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).