N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine

C24H20F3N11S2 — CID 87097987

IUPACN-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H10F3N5S.C11H10N6S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11;1-7-2-3-12-10(15-7)17-11-16-9(6-18-11)8-4-13-14-5-8/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20);2-6H,1H3,(H,13,14)(H,12,15,16,17)
InChIKeyIQYKWDSZVNESFO-UHFFFAOYSA-N
MW583.63 g/mol
LogP6.15
Rot. Bonds7

About N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine

N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 87097987) has the molecular formula C24H20F3N11S2 and a molecular weight of 583.63 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID87097987
Molecular FormulaC24H20F3N11S2
Molecular Weight583.63 g/mol
Exact Mass583.13
IUPAC NameN-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H10F3N5S.C11H10N6S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11;1-7-2-3-12-10(15-7)17-11-16-9(6-18-11)8-4-13-14-5-8/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20);2-6H,1H3,(H,13,14)(H,12,15,16,17)
InChIKeyIQYKWDSZVNESFO-UHFFFAOYSA-N
XLogP6.15
TPSA145.87 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500583.63
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (CID 87097987) is N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is IQYKWDSZVNESFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S.C11H10N6S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11;1-7-2-3-12-10(15-7)17-11-16-9(6-18-11)8-4-13-14-5-8/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20);2-6H,1H3,(H,13,14)(H,12,15,16,17).
What are the key properties of N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 583.63 g/mol, XLogP of 6.15, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87097987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).