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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 107463844
4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 107463531
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599696
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104925136
6-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 107463946
N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103908134
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridazin-3-amine
CID 107463688
3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115923177
N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethyl-5,6-dihydro-1,3-thiazin-2-amine
CID 107463962
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555

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).