N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C15H22F3N3OS — CID 133382376

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(NCC2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C15H22F3N3OS/c16-15(17,18)12-10-23-13(20-12)19-11-14(4-2-1-3-5-14)21-6-8-22-9-7-21/h10H,1-9,11H2,(H,19,20)
InChIKeyGCGWORXDMTWGJR-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.61
Rot. Bonds4

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133382376) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133382376
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(NCC2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C15H22F3N3OS/c16-15(17,18)12-10-23-13(20-12)19-11-14(4-2-1-3-5-14)21-6-8-22-9-7-21/h10H,1-9,11H2,(H,19,20)
InChIKeyGCGWORXDMTWGJR-UHFFFAOYSA-N
XLogP3.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 65545845
2-methoxy-N-[[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 65546015
4-[[1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
CID 86801716
4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
CID 99714313
4-[[(2S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
CID 99714314
1-(3-Ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111616287
1-(3-Ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616288
1-Ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111616717
1-Ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616718
1-Ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111617110
1-Ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111617528
1-Ethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111617529

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133382376) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1csc(NCC2(N3CCOCC3)CCCCC2)n1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is GCGWORXDMTWGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3OS/c16-15(17,18)12-10-23-13(20-12)19-11-14(4-2-1-3-5-14)21-6-8-22-9-7-21/h10H,1-9,11H2,(H,19,20).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 349.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133382376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).