1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea

C12H20N2OS — CID 115580733

IUPAC1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
SMILESCCN(Cc1ccco1)C(=S)NCC(C)C
InChIInChI=1S/C12H20N2OS/c1-4-14(9-11-6-5-7-15-11)12(16)13-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,13,16)
InChIKeyBIEGSKOWVQSNQZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.63
Rot. Bonds5

About 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea

1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea (PubChem CID 115580733) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
PubChem CID115580733
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea
SMILESCCN(Cc1ccco1)C(=S)NCC(C)C
InChIInChI=1S/C12H20N2OS/c1-4-14(9-11-6-5-7-15-11)12(16)13-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,13,16)
InChIKeyBIEGSKOWVQSNQZ-UHFFFAOYSA-N
XLogP2.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
CID 17385332
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
3-(furan-2-ylmethyl)-1,1-dipropylthiourea
CID 19653033
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976380
2-(butan-2-ylamino)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 60946987
N-ethyl-N-(furan-2-ylmethyl)ethanimidamide
CID 63172933
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea (CID 115580733) is 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea is CCN(Cc1ccco1)C(=S)NCC(C)C.
What is the InChIKey of 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea?
The InChIKey is BIEGSKOWVQSNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-14(9-11-6-5-7-15-11)12(16)13-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,13,16).
What are the key properties of 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea?
1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea has a molecular weight of 240.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(furan-2-ylmethyl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 115580733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).