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

C9H10F3N5S — CID 80609075

IUPACN-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C9H10F3N5S/c1-2-13-8-15-14-7(18-8)5-17-4-3-6(16-17)9(10,11)12/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyGELGQQOERCDQFH-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.23
Rot. Bonds4

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

N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80609075) has the molecular formula C9H10F3N5S and a molecular weight of 277.28 g/mol. Its IUPAC name is N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80609075
Molecular FormulaC9H10F3N5S
Molecular Weight277.28 g/mol
Exact Mass277.06
IUPAC NameN-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C9H10F3N5S/c1-2-13-8-15-14-7(18-8)5-17-4-3-6(16-17)9(10,11)12/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyGELGQQOERCDQFH-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 5147753
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2524121
5-(1-methyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 62920978
(1,3-Dimethylpyrazol-4-yl){5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl](1,3,4-thiadiazol-2-yl)}amine
CID 4862500
5-(difluoromethyl)-N-(3-pyrazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 71848636
N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 119043130
N-[1-[(3-fluoro-3,4-dihydropyridin-2-yl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethenyl]-1,3,4-thiadiazol-2-amine
CID 164028839
5-[5-(Difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
CID 171818983
2-(5-Methylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 173589738
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3,4-thiadiazole
CID 173589747
5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 4862482
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30246197

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 80609075) is N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(Cn2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GELGQQOERCDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5S/c1-2-13-8-15-14-7(18-8)5-17-4-3-6(16-17)9(10,11)12/h3-4H,2,5H2,1H3,(H,13,15).
What are the key properties of N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 277.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80609075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).