N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C8H7F3N4S — CID 146090140

IUPACN-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCn1cc(Nc2nc(C(F)(F)F)cs2)cn1
InChIInChI=1S/C8H7F3N4S/c1-15-3-5(2-12-15)13-7-14-6(4-16-7)8(9,10)11/h2-4H,1H3,(H,13,14)
InChIKeyGSWWUXXJAQDEPI-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.64
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 146090140) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID146090140
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC NameN-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCn1cc(Nc2nc(C(F)(F)F)cs2)cn1
InChIInChI=1S/C8H7F3N4S/c1-15-3-5(2-12-15)13-7-14-6(4-16-7)8(9,10)11/h2-4H,1H3,(H,13,14)
InChIKeyGSWWUXXJAQDEPI-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 146090140) is N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cn1cc(Nc2nc(C(F)(F)F)cs2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is GSWWUXXJAQDEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-15-3-5(2-12-15)13-7-14-6(4-16-7)8(9,10)11/h2-4H,1H3,(H,13,14).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 248.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 146090140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).