N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H9F3N4OS — CID 107305036

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1noc(C)c1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H9F3N4OS/c1-4-6(5(2)17-15-4)3-13-8-14-7(16-18-8)9(10,11)12/h3H2,1-2H3,(H,13,14,16)
InChIKeyQMZLDDCXYJTXCC-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.77
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305036) has the molecular formula C9H9F3N4OS and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305036
Molecular FormulaC9H9F3N4OS
Molecular Weight278.26 g/mol
Exact Mass278.04
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1noc(C)c1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H9F3N4OS/c1-4-6(5(2)17-15-4)3-13-8-14-7(16-18-8)9(10,11)12/h3H2,1-2H3,(H,13,14,16)
InChIKeyQMZLDDCXYJTXCC-UHFFFAOYSA-N
XLogP2.77
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 71937141
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 79242359
2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid
CID 107304292
N-[(2-ethylphenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304994
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
N-(2-ethylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305185
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402383
2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378174

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305036) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is Cc1noc(C)c1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QMZLDDCXYJTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4OS/c1-4-6(5(2)17-15-4)3-13-8-14-7(16-18-8)9(10,11)12/h3H2,1-2H3,(H,13,14,16).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 278.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).