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

C12H12F3N3S — CID 103853555

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCc1cnc(CNc2ncccc2C(F)(F)F)s1
InChIInChI=1S/C12H12F3N3S/c1-2-8-6-17-10(19-8)7-18-11-9(12(13,14)15)4-3-5-16-11/h3-6H,2,7H2,1H3,(H,16,18)
InChIKeyWUHVZUWHYLGMIK-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.73
Rot. Bonds4

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 103853555) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID103853555
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCc1cnc(CNc2ncccc2C(F)(F)F)s1
InChIInChI=1S/C12H12F3N3S/c1-2-8-6-17-10(19-8)7-18-11-9(12(13,14)15)4-3-5-16-11/h3-6H,2,7H2,1H3,(H,16,18)
InChIKeyWUHVZUWHYLGMIK-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111534697
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine
CID 115735496
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114129166
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103704512
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115620858
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 54903289
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 103704528
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61402525

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 103853555) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine is CCc1cnc(CNc2ncccc2C(F)(F)F)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WUHVZUWHYLGMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-2-8-6-17-10(19-8)7-18-11-9(12(13,14)15)4-3-5-16-11/h3-6H,2,7H2,1H3,(H,16,18).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103853555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).