1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

C13H18F3N3O2S — CID 109398697

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESCN(CC1CCCC1O)C(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3O2S/c1-19(6-8-3-2-4-9(8)20)12(21)17-5-11-18-10(7-22-11)13(14,15)16/h7-9,20H,2-6H2,1H3,(H,17,21)
InChIKeyHQVDRWNOBVIJMM-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.46
Rot. Bonds4

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (PubChem CID 109398697) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
PubChem CID109398697
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESCN(CC1CCCC1O)C(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3O2S/c1-19(6-8-3-2-4-9(8)20)12(21)17-5-11-18-10(7-22-11)13(14,15)16/h7-9,20H,2-6H2,1H3,(H,17,21)
InChIKeyHQVDRWNOBVIJMM-UHFFFAOYSA-N
XLogP2.46
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(2-Propan-2-yloxan-3-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 132383316
3-hydroxy-4-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-1-carboxamide
CID 109952123
3-hydroxy-4-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 109952217
2-(2-hydroxyethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-1-carboxamide
CID 109979436
2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide
CID 110014857
2-hydroxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentane-1-carboxamide
CID 110015923
1-(4-Hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111450420
1-(3-Ethyl-2-hydroxypentyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111450720
1-[(1-Hydroxycyclopentyl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111455772
3-(hydroxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 111455776
3-(hydroxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-1-carboxamide
CID 111455777
1-(2-Hydroxy-4-methylpentyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111455779

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (CID 109398697) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is CN(CC1CCCC1O)C(=O)NCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is HQVDRWNOBVIJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-19(6-8-3-2-4-9(8)20)12(21)17-5-11-18-10(7-22-11)13(14,15)16/h7-9,20H,2-6H2,1H3,(H,17,21).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 337.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 109398697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).