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

C12H16F3N3O2S — CID 111450420

IUPAC1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESO=C(NCc1nc(C(F)(F)F)cs1)NC1CCC(O)CC1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)9-6-21-10(18-9)5-16-11(20)17-7-1-3-8(19)4-2-7/h6-8,19H,1-5H2,(H2,16,17,20)
InChIKeySTUUVZAFALSTLG-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.26
Rot. Bonds3

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

1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (PubChem CID 111450420) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
PubChem CID111450420
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESO=C(NCc1nc(C(F)(F)F)cs1)NC1CCC(O)CC1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)9-6-21-10(18-9)5-16-11(20)17-7-1-3-8(19)4-2-7/h6-8,19H,1-5H2,(H2,16,17,20)
InChIKeySTUUVZAFALSTLG-UHFFFAOYSA-N
XLogP2.26
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (CID 111450420) is 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is O=C(NCc1nc(C(F)(F)F)cs1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is STUUVZAFALSTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)9-6-21-10(18-9)5-16-11(20)17-7-1-3-8(19)4-2-7/h6-8,19H,1-5H2,(H2,16,17,20).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 323.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 111450420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).