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

C13H18F3N3O2S — CID 111509246

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)NCC1(O)CCCC1
InChIInChI=1S/C13H18F3N3O2S/c14-13(15,16)9-7-22-10(19-9)3-6-17-11(20)18-8-12(21)4-1-2-5-12/h7,21H,1-6,8H2,(H2,17,18,20)
InChIKeyWQZSNQHQAXBQAY-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.31
Rot. Bonds5

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

1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea (PubChem CID 111509246) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
PubChem CID111509246
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)NCC1(O)CCCC1
InChIInChI=1S/C13H18F3N3O2S/c14-13(15,16)9-7-22-10(19-9)3-6-17-11(20)18-8-12(21)4-1-2-5-12/h7,21H,1-6,8H2,(H2,17,18,20)
InChIKeyWQZSNQHQAXBQAY-UHFFFAOYSA-N
XLogP2.31
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxycyclohexyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71867574
1-[(1R,2S)-2-hydroxycyclohexyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
CID 96566062
1-[(1S,2S)-2-hydroxycyclohexyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
CID 96566063
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
CID 96566064
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
CID 96566065
1-[(2-Hydroxycyclopentyl)methyl]-1-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 109398697
1-Ethyl-2-(2-hydroxy-2-propylpentyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 109514798
1-Ethyl-2-(2-hydroxy-2-propylpentyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 109514799
3-hydroxy-4-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 109952217
1-(3-Ethyl-2-hydroxypentyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111450720
1-hydroxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentane-1-carboxamide
CID 111450807
1-[(1-Hydroxycyclopentyl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111455772

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea (CID 111509246) is 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea is O=C(NCCc1nc(C(F)(F)F)cs1)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea?
The InChIKey is WQZSNQHQAXBQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c14-13(15,16)9-7-22-10(19-9)3-6-17-11(20)18-8-12(21)4-1-2-5-12/h7,21H,1-6,8H2,(H2,17,18,20).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea has a molecular weight of 337.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea is sourced from PubChem (CID 111509246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).