5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole

C14H15F3N2S — CID 123888341

IUPAC5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)C(C)c1sc(-c2cccnc2)nc1C(F)(F)F
InChIInChI=1S/C14H15F3N2S/c1-8(2)9(3)11-12(14(15,16)17)19-13(20-11)10-5-4-6-18-7-10/h4-9H,1-3H3
InChIKeyZCMWKRRLMJFXHE-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.98
Rot. Bonds3

About 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole

5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 123888341) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID123888341
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)C(C)c1sc(-c2cccnc2)nc1C(F)(F)F
InChIInChI=1S/C14H15F3N2S/c1-8(2)9(3)11-12(14(15,16)17)19-13(20-11)10-5-4-6-18-7-10/h4-9H,1-3H3
InChIKeyZCMWKRRLMJFXHE-UHFFFAOYSA-N
XLogP4.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 160725077
5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 123930282
4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
CID 123250863
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-methyl-N-[[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369758
2-pyridin-3-ylbenzo[e][1,3]benzothiazole
CID 13407323
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanimine
CID 123482726
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891375
3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 100648662

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole (CID 123888341) is 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole is CC(C)C(C)c1sc(-c2cccnc2)nc1C(F)(F)F.
What is the InChIKey of 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZCMWKRRLMJFXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-8(2)9(3)11-12(14(15,16)17)19-13(20-11)10-5-4-6-18-7-10/h4-9H,1-3H3.
What are the key properties of 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole?
5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 300.35 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 123888341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).