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

C12H16F3N3OS — CID 86986765

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCc1csc(NC(=O)NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H16F3N3OS/c1-7-6-20-11(16-7)18-10(19)17-9-4-2-3-8(5-9)12(13,14)15/h6,8-9H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyPRLZXBQXVGHZHS-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.69
Rot. Bonds2

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

1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 86986765) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID86986765
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCc1csc(NC(=O)NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H16F3N3OS/c1-7-6-20-11(16-7)18-10(19)17-9-4-2-3-8(5-9)12(13,14)15/h6,8-9H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyPRLZXBQXVGHZHS-UHFFFAOYSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Adamantyl)-3-(4-methylthiazol-2-yl)urea
CID 71603058
1-(4-Methyl-1,3-thiazol-2-yl)-3-[[3-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 4799100
N-[4-[[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 97137213
1-[(2S)-1-piperidin-1-ylpropan-2-yl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 97869797
1-[3-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 20530389
2-methyl-N-[[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 89986704
1-(2-Cyclohexylethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
CID 162565633
1-Cyclohexyl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 47200101
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 51082353
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 62798726
1-Cyclohexyl-3-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]urea
CID 75395155
N-[4-[[(1-cyclopentyl-2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75470773

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 86986765) is 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea is Cc1csc(NC(=O)NC2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is PRLZXBQXVGHZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-7-6-20-11(16-7)18-10(19)17-9-4-2-3-8(5-9)12(13,14)15/h6,8-9H,2-5H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 307.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 86986765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).