N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C13H11F3N6S — CID 90892461

IUPACN-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nn[nH]n1
InChIInChI=1S/C13H11F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20,21,22)
InChIKeyANDGBIBENVSINF-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.57
Rot. Bonds4

About N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 90892461) has the molecular formula C13H11F3N6S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID90892461
Molecular FormulaC13H11F3N6S
Molecular Weight340.33 g/mol
Exact Mass340.07
IUPAC NameN-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nn[nH]n1
InChIInChI=1S/C13H11F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20,21,22)
InChIKeyANDGBIBENVSINF-UHFFFAOYSA-N
XLogP3.57
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 91311697
5-[(1R)-1-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,2-oxazol-3-one
CID 25263628
(2R)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanal
CID 87085958
N-[4-[(1R)-1-(1-hydroxypyrazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 174667068
3-oxo-4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]pentanoic acid
CID 174600822
sodium;(2S)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoate;hydrate
CID 178064344
(2S)-N-[(2S)-3-methylbutan-2-yl]-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 150737473
2-methyl-2-[[(2S)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoyl]amino]propanoic acid
CID 87374189
N-(trifluoromethylsulfonyl)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 75093174
sodium;N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propanoic acid
CID 174634412
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796
5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole
CID 11566215

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 90892461) is N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nn[nH]n1.
What is the InChIKey of N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is ANDGBIBENVSINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20,21,22).
What are the key properties of N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 340.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 90892461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).