N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C12H15F3N4S — CID 106786085

IUPACN-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)c1ccnn1C
InChIInChI=1S/C12H15F3N4S/c1-3-5-16-10(8-4-6-18-19(8)2)9-7-17-11(20-9)12(13,14)15/h4,6-7,10,16H,3,5H2,1-2H3
InChIKeyGQXAMBOWEXPQKD-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.98
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106786085) has the molecular formula C12H15F3N4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106786085
Molecular FormulaC12H15F3N4S
Molecular Weight304.34 g/mol
Exact Mass304.10
IUPAC NameN-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)c1ccnn1C
InChIInChI=1S/C12H15F3N4S/c1-3-5-16-10(8-4-6-18-19(8)2)9-7-17-11(20-9)12(13,14)15/h4,6-7,10,16H,3,5H2,1-2H3
InChIKeyGQXAMBOWEXPQKD-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106786085) is N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(c1cnc(C(F)(F)F)s1)c1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is GQXAMBOWEXPQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S/c1-3-5-16-10(8-4-6-18-19(8)2)9-7-17-11(20-9)12(13,14)15/h4,6-7,10,16H,3,5H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 304.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106786085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).