5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol

C16H21F3N2OS — CID 162583172

IUPAC5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol
SMILESCC(C)C1(C)SC(N[C@H](C)c2ccccc2C(F)(F)F)=NC1O
InChIInChI=1S/C16H21F3N2OS/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-7-5-6-8-12(11)16(17,18)19/h5-10,13,22H,1-4H3,(H,20,21)/t10-,13?,15?/m1/s1
InChIKeyQRMLNBHCJRIFKV-ZZJLNTIPSA-N
MW346.42 g/mol
LogP4.19
Rot. Bonds3

About 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol

5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol (PubChem CID 162583172) has the molecular formula C16H21F3N2OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol
PubChem CID162583172
Molecular FormulaC16H21F3N2OS
Molecular Weight346.42 g/mol
Exact Mass346.13
IUPAC Name5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol
SMILESCC(C)C1(C)SC(N[C@H](C)c2ccccc2C(F)(F)F)=NC1O
InChIInChI=1S/C16H21F3N2OS/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-7-5-6-8-12(11)16(17,18)19/h5-10,13,22H,1-4H3,(H,20,21)/t10-,13?,15?/m1/s1
InChIKeyQRMLNBHCJRIFKV-ZZJLNTIPSA-N
XLogP4.19
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine
CID 43547335
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099199
N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 113348726
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
6-methoxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyridin-3-amine
CID 43093893

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol?
The IUPAC name of 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol (CID 162583172) is 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol.
What is the SMILES notation for 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol?
The canonical SMILES for 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol is CC(C)C1(C)SC(N[C@H](C)c2ccccc2C(F)(F)F)=NC1O.
What is the InChIKey of 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol?
The InChIKey is QRMLNBHCJRIFKV-ZZJLNTIPSA-N. The full InChI is InChI=1S/C16H21F3N2OS/c1-9(2)15(4)13(22)21-14(23-15)20-10(3)11-7-5-6-8-12(11)16(17,18)19/h5-10,13,22H,1-4H3,(H,20,21)/t10-,13?,15?/m1/s1.
What are the key properties of 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol?
5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol has a molecular weight of 346.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yl-2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]-4H-1,3-thiazol-4-ol is sourced from PubChem (CID 162583172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).