N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C9H10F3N5S — CID 107463509

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nn(C)cc1Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3N5S/c1-3-5-6(4-17(2)16-5)13-8-15-14-7(18-8)9(10,11)12/h4H,3H2,1-2H3,(H,13,15)
InChIKeyKKSCSGNSGMZIJP-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.60
Rot. Bonds3

About N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107463509) has the molecular formula C9H10F3N5S and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID107463509
Molecular FormulaC9H10F3N5S
Molecular Weight277.28 g/mol
Exact Mass277.06
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nn(C)cc1Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3N5S/c1-3-5-6(4-17(2)16-5)13-8-15-14-7(18-8)9(10,11)12/h4H,3H2,1-2H3,(H,13,15)
InChIKeyKKSCSGNSGMZIJP-UHFFFAOYSA-N
XLogP2.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 107463509) is N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCc1nn(C)cc1Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KKSCSGNSGMZIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5S/c1-3-5-6(4-17(2)16-5)13-8-15-14-7(18-8)9(10,11)12/h4H,3H2,1-2H3,(H,13,15).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 277.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107463509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).