1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea

C17H22N2O2S — CID 18782996

IUPAC1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NCCc1coc2ccc3c(c12)CCCO3
InChIInChI=1S/C17H22N2O2S/c1-2-8-18-17(22)19-9-7-12-11-21-15-6-5-14-13(16(12)15)4-3-10-20-14/h5-6,11H,2-4,7-10H2,1H3,(H2,18,19,22)
InChIKeyDIFRGBZVPQMREX-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.17
Rot. Bonds5

About 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea

1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea (PubChem CID 18782996) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea
PubChem CID18782996
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NCCc1coc2ccc3c(c12)CCCO3
InChIInChI=1S/C17H22N2O2S/c1-2-8-18-17(22)19-9-7-12-11-21-15-6-5-14-13(16(12)15)4-3-10-20-14/h5-6,11H,2-4,7-10H2,1H3,(H2,18,19,22)
InChIKeyDIFRGBZVPQMREX-UHFFFAOYSA-N
XLogP3.17
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid
CID 163510988
1-methyl-3-[2-(5-propyl-1-benzofuran-3-yl)ethyl]thiourea
CID 139699439
1-butyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea
CID 115570867
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-N-propylacetamide
CID 82122112
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
1-[2-(1,3-benzodioxol-4-yl)ethyl]-3-butylthiourea
CID 118455543
1-(1,3-benzodioxol-4-ylmethyl)-3-propylthiourea
CID 75416671
N-[2-(2-benzyl-8,9-dihydro-7H-thieno[3,2-f]chromen-1-yl)ethyl]acetamide
CID 57282574
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
7-(propylamino)-3,4-dihydro-2H-chromen-5-ol
CID 146197617

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea?
The IUPAC name of 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea (CID 18782996) is 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea.
What is the SMILES notation for 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea?
The canonical SMILES for 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea is CCCNC(=S)NCCc1coc2ccc3c(c12)CCCO3.
What is the InChIKey of 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea?
The InChIKey is DIFRGBZVPQMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-8-18-17(22)19-9-7-12-11-21-15-6-5-14-13(16(12)15)4-3-10-20-14/h5-6,11H,2-4,7-10H2,1H3,(H2,18,19,22).
What are the key properties of 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea?
1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea has a molecular weight of 318.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-3-propylthiourea is sourced from PubChem (CID 18782996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).