3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C16H21N3O3S — CID 109398881

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C16H21N3O3S/c1-19(9-11-4-2-5-13(11)20)16(21)17-8-12-10-23-15(18-12)14-6-3-7-22-14/h3,6-7,10-11,13,20H,2,4-5,8-9H2,1H3,(H,17,21)
InChIKeyZTEYTRIMGOSHJH-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.71
Rot. Bonds5

About 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109398881) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109398881
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C16H21N3O3S/c1-19(9-11-4-2-5-13(11)20)16(21)17-8-12-10-23-15(18-12)14-6-3-7-22-14/h3,6-7,10-11,13,20H,2,4-5,8-9H2,1H3,(H,17,21)
InChIKeyZTEYTRIMGOSHJH-UHFFFAOYSA-N
XLogP2.71
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea with MolForge

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
CID 75432520
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97330875
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 75437494
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109399692
cis-methyl (1R,2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]cycloheptane-1-carboxylate
CID 97307342
3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398770
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
2-[cyclopentyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 60833022
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 109400065

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109398881) is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)NCc1csc(-c2ccco2)n1.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is ZTEYTRIMGOSHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19(9-11-4-2-5-13(11)20)16(21)17-8-12-10-23-15(18-12)14-6-3-7-22-14/h3,6-7,10-11,13,20H,2,4-5,8-9H2,1H3,(H,17,21).
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 335.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109398881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).