3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea

C14H19N3O2S2 — CID 122562891

IUPAC3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCN(Cc1nccs1)C(=O)NCCCSCc1ccco1
InChIInChI=1S/C14H19N3O2S2/c1-17(10-13-15-6-9-21-13)14(18)16-5-3-8-20-11-12-4-2-7-19-12/h2,4,6-7,9H,3,5,8,10-11H2,1H3,(H,16,18)
InChIKeyIAMHRVSJQCORRF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.20
Rot. Bonds8

About 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea

3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 122562891) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID122562891
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCN(Cc1nccs1)C(=O)NCCCSCc1ccco1
InChIInChI=1S/C14H19N3O2S2/c1-17(10-13-15-6-9-21-13)14(18)16-5-3-8-20-11-12-4-2-7-19-12/h2,4,6-7,9H,3,5,8,10-11H2,1H3,(H,16,18)
InChIKeyIAMHRVSJQCORRF-UHFFFAOYSA-N
XLogP3.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607946
1-(2,3-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607945
N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide
CID 72859219
2-tert-butyl-N-[3-(furan-2-ylmethylsulfanyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70734413
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924
3-[3-(ethylsulfanylmethyl)phenyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 71982796
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217869
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18113796
1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607944
2-[2-(furan-2-yl)ethyl]-1-methyl-3-(2-phenylsulfanylethyl)-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 110060981
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 74236548
2-(furan-2-ylmethylsulfanyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60663460

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea (CID 122562891) is 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea is CN(Cc1nccs1)C(=O)NCCCSCc1ccco1.
What is the InChIKey of 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is IAMHRVSJQCORRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-17(10-13-15-6-9-21-13)14(18)16-5-3-8-20-11-12-4-2-7-19-12/h2,4,6-7,9H,3,5,8,10-11H2,1H3,(H,16,18).
What are the key properties of 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea?
3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 325.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-ylmethylsulfanyl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 122562891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).