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

C13H18F3N3OS — CID 51082353

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCc1csc(CNC(=O)NC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3OS/c1-8-7-21-11(18-8)6-17-12(20)19-10-4-2-9(3-5-10)13(14,15)16/h7,9-10H,2-6H2,1H3,(H2,17,19,20)
InChIKeyHGMMZBFGEHCFTC-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.37
Rot. Bonds3

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

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 51082353) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID51082353
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCc1csc(CNC(=O)NC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3OS/c1-8-7-21-11(18-8)6-17-12(20)19-10-4-2-9(3-5-10)13(14,15)16/h7,9-10H,2-6H2,1H3,(H2,17,19,20)
InChIKeyHGMMZBFGEHCFTC-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032039
2-amino-2-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 61044328
1-cyclopropyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119114480
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664741
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94017963
2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
3-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 64700096
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 66377831
2-[[(cyclopropylamino)-[(4-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116997
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 51082353) is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is Cc1csc(CNC(=O)NC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is HGMMZBFGEHCFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-8-7-21-11(18-8)6-17-12(20)19-10-4-2-9(3-5-10)13(14,15)16/h7,9-10H,2-6H2,1H3,(H2,17,19,20).
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 321.37 g/mol, XLogP of 3.37, 3 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)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 51082353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).