4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

C14H13F3N2S — CID 123250863

IUPAC4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
SMILESCC(c1sc(-c2cccnc2)nc1C1CC1)C(F)(F)F
InChIInChI=1S/C14H13F3N2S/c1-8(14(15,16)17)12-11(9-4-5-9)19-13(20-12)10-3-2-6-18-7-10/h2-3,6-9H,4-5H2,1H3
InChIKeyMESNVWIRVCKFTC-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.75
Rot. Bonds3

About 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (PubChem CID 123250863) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
PubChem CID123250863
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
SMILESCC(c1sc(-c2cccnc2)nc1C1CC1)C(F)(F)F
InChIInChI=1S/C14H13F3N2S/c1-8(14(15,16)17)12-11(9-4-5-9)19-13(20-12)10-3-2-6-18-7-10/h2-3,6-9H,4-5H2,1H3
InChIKeyMESNVWIRVCKFTC-UHFFFAOYSA-N
XLogP4.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

4-cyclopropyl-5-methylsulfinyl-2-pyridin-3-yl-1,3-thiazole
CID 123874586
5-(3-methylbutan-2-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 123888341
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 160725077
4-bromo-5-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-bromo-5-(1-cyclopropylethyl)-2-pyridin-3-yl-1,3-thiazole;(E)-1-[4-bromo-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methoxyethanimine;4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole;(E)-1-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methoxyethanimine;4-bromo-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
CID 172932433
2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976502
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58236116
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 123930282
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (CID 123250863) is 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is CC(c1sc(-c2cccnc2)nc1C1CC1)C(F)(F)F.
What is the InChIKey of 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The InChIKey is MESNVWIRVCKFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-8(14(15,16)17)12-11(9-4-5-9)19-13(20-12)10-3-2-6-18-7-10/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole has a molecular weight of 298.33 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 123250863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).