N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C15H13F3N4OS — CID 174667068

IUPACN-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESC[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1ccn(O)n1
InChIInChI=1S/C15H13F3N4OS/c1-9(12-6-7-22(23)21-12)10-2-4-11(5-3-10)19-14-20-13(8-24-14)15(16,17)18/h2-9,23H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyDOTLWMSQIFGRRR-SECBINFHSA-N
MW354.36 g/mol
LogP4.49
Rot. Bonds4

About N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 174667068) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID174667068
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC NameN-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESC[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1ccn(O)n1
InChIInChI=1S/C15H13F3N4OS/c1-9(12-6-7-22(23)21-12)10-2-4-11(5-3-10)19-14-20-13(8-24-14)15(16,17)18/h2-9,23H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyDOTLWMSQIFGRRR-SECBINFHSA-N
XLogP4.49
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 91311697
N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 90892461
(2R)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanal
CID 87085958
sodium;(2S)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoate;hydrate
CID 178064344
5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one
CID 25263628
3-oxo-4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]pentanoic acid
CID 174600822
(2S)-N-[(2S)-3-methylbutan-2-yl]-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 150737473
N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 75093174
2-methyl-2-[[(2S)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoyl]amino]propanoic acid
CID 87374189
sodium;N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propanoic acid
CID 174634412
3-methyl-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]but-1-en-2-ol
CID 89385117
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 174667068) is N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is C[C@H](c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1ccn(O)n1.
What is the InChIKey of N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is DOTLWMSQIFGRRR-SECBINFHSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c1-9(12-6-7-22(23)21-12)10-2-4-11(5-3-10)19-14-20-13(8-24-14)15(16,17)18/h2-9,23H,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 354.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 174667068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).