(5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H11F3N2OS — CID 705129

IUPAC(5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@@H]1CN=C(Nc2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C11H11F3N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyLDIRFUBYADQAMJ-SSDOTTSWSA-N
MW276.28 g/mol
LogP3.49
Rot. Bonds2

About (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

(5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 705129) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID705129
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name(5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@@H]1CN=C(Nc2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C11H11F3N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyLDIRFUBYADQAMJ-SSDOTTSWSA-N
XLogP3.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 705034
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361089
5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296751
4,4-diethyl-N-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-2-amine
CID 62524656
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153931
5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 55170640
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
(3aR,4R,5R,7S,7aR)-4,5-dihydroxy-N-phenyl-2-[4-(trifluoromethoxy)anilino]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-7-carboxamide
CID 163010803
N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 65046957
5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 25093333

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 705129) is (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is C[C@@H]1CN=C(Nc2ccc(OC(F)(F)F)cc2)S1.
What is the InChIKey of (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LDIRFUBYADQAMJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
(5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 276.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 705129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).