1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C17H24N4O2S — CID 51083516

IUPAC1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC(c2ccco2)N2CCCCC2)cs1
InChIInChI=1S/C17H24N4O2S/c1-13-20-14(12-24-13)10-18-17(22)19-11-15(16-6-5-9-23-16)21-7-3-2-4-8-21/h5-6,9,12,15H,2-4,7-8,10-11H2,1H3,(H2,18,19,22)
InChIKeyKIJODNZULFNGIF-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.07
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 51083516) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID51083516
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC(c2ccco2)N2CCCCC2)cs1
InChIInChI=1S/C17H24N4O2S/c1-13-20-14(12-24-13)10-18-17(22)19-11-15(16-6-5-9-23-16)21-7-3-2-4-8-21/h5-6,9,12,15H,2-4,7-8,10-11H2,1H3,(H2,18,19,22)
InChIKeyKIJODNZULFNGIF-UHFFFAOYSA-N
XLogP3.07
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95237805
1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 51116327
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95131195
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51126717
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423755
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 93482584

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 51083516) is 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)NCC(c2ccco2)N2CCCCC2)cs1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is KIJODNZULFNGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-20-14(12-24-13)10-18-17(22)19-11-15(16-6-5-9-23-16)21-7-3-2-4-8-21/h5-6,9,12,15H,2-4,7-8,10-11H2,1H3,(H2,18,19,22).
What are the key properties of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 348.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 51083516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).