[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C11H10F3N3S — CID 113497248

IUPAC[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1cccnc1-c1nc(C(F)(F)F)c(CN)s1
InChIInChI=1S/C11H10F3N3S/c1-6-3-2-4-16-8(6)10-17-9(11(12,13)14)7(5-15)18-10/h2-4H,5,15H2,1H3
InChIKeyOAOLESMIPDCXTJ-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.99
Rot. Bonds2

About [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 113497248) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID113497248
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1cccnc1-c1nc(C(F)(F)F)c(CN)s1
InChIInChI=1S/C11H10F3N3S/c1-6-3-2-4-16-8(6)10-17-9(11(12,13)14)7(5-15)18-10/h2-4H,5,15H2,1H3
InChIKeyOAOLESMIPDCXTJ-UHFFFAOYSA-N
XLogP2.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 107915424
[2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113497267
[2-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 103375114
5-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-3-amine
CID 64544869
2-methyl-N-[[2-(3-methyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364559
N-[[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402696
[2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 103445224
N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 103445237
(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 114361405
[3-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 71144633
[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030
[3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152579

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 113497248) is [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is Cc1cccnc1-c1nc(C(F)(F)F)c(CN)s1.
What is the InChIKey of [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OAOLESMIPDCXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c1-6-3-2-4-16-8(6)10-17-9(11(12,13)14)7(5-15)18-10/h2-4H,5,15H2,1H3.
What are the key properties of [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 273.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 113497248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).