N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H17F3N2S — CID 54087907

IUPACN-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)C(NC1=NCCS1)C1CCCCC1
InChIInChI=1S/C11H17F3N2S/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h8-9H,1-7H2,(H,15,16)
InChIKeyMRTQAQHILCKSCI-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.19
Rot. Bonds2

About N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54087907) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54087907
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)C(NC1=NCCS1)C1CCCCC1
InChIInChI=1S/C11H17F3N2S/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h8-9H,1-7H2,(H,15,16)
InChIKeyMRTQAQHILCKSCI-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
2-Thiazoline, 2-((cyclohexylmethyl)amino)-
CID 3055296
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 57177793
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
N-(4,4,4-trifluorobutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105943244
N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254
N-(4,4,4-trifluorobutan-2-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363961
4-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114131552
5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114168440
N-(4,4,4-trifluorobutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114179099
N-[(2,2-difluorocyclopentyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 133620440

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54087907) is N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)C(NC1=NCCS1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MRTQAQHILCKSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h8-9H,1-7H2,(H,15,16).
What are the key properties of N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54087907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).