N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C8H7F3N4S — CID 84591221

IUPACN-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1[nH]ncc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H7F3N4S/c1-4-5(2-12-15-4)13-7-14-6(3-16-7)8(9,10)11/h2-3H,1H3,(H,12,15)(H,13,14)
InChIKeyJWNIQRYUBLHAGZ-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.94
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 84591221) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID84591221
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1[nH]ncc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H7F3N4S/c1-4-5(2-12-15-4)13-7-14-6(3-16-7)8(9,10)11/h2-3H,1H3,(H,12,15)(H,13,14)
InChIKeyJWNIQRYUBLHAGZ-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-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

4-methyl-5-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-2-amine
CID 19616606
1-(5-methyl-1H-pyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 75405901
1-(2-Methyl-1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658713
1-(1,3-Thiazol-2-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658928
1-[5-(Difluoromethyl)-1-methylpyrazol-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 71908367
2-methyl-1-(1H-pyrazol-5-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615648
2-methyl-1-(1H-pyrazol-5-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615649
2-methyl-1-(1H-pyrazol-5-ylmethyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111687553
2-methyl-1-(1H-pyrazol-5-ylmethyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111687554
1-ethyl-2-(1H-pyrazol-5-ylmethyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111687735
1-ethyl-2-(1H-pyrazol-5-ylmethyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111687736
1-[[2-(Dimethylamino)-1,3-thiazol-4-yl]methyl]-3-ethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
CID 112423991

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 84591221) is N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1[nH]ncc1Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is JWNIQRYUBLHAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-4-5(2-12-15-4)13-7-14-6(3-16-7)8(9,10)11/h2-3H,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 248.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 84591221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).