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

C12H15F3N4S — CID 106783579

IUPACN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)c1nccn1C
InChIInChI=1S/C12H15F3N4S/c1-3-4-16-9(10-17-5-6-19(10)2)8-7-18-11(20-8)12(13,14)15/h5-7,9,16H,3-4H2,1-2H3
InChIKeyXRYBTEXSBXYOAG-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.98
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106783579) has the molecular formula C12H15F3N4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106783579
Molecular FormulaC12H15F3N4S
Molecular Weight304.34 g/mol
Exact Mass304.10
IUPAC NameN-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)c1nccn1C
InChIInChI=1S/C12H15F3N4S/c1-3-4-16-9(10-17-5-6-19(10)2)8-7-18-11(20-8)12(13,14)15/h5-7,9,16H,3-4H2,1-2H3
InChIKeyXRYBTEXSBXYOAG-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-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106783579) is N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(c1cnc(C(F)(F)F)s1)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is XRYBTEXSBXYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S/c1-3-4-16-9(10-17-5-6-19(10)2)8-7-18-11(20-8)12(13,14)15/h5-7,9,16H,3-4H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[(1-methylimidazol-2-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-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106783579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).