2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C10H14F3NS — CID 58428802

IUPAC2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)c1nc(C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C10H14F3NS/c1-5(2)7-8(10(11,12)13)14-9(15-7)6(3)4/h5-6H,1-4H3
InChIKeyDNPCDATURBYQIV-UHFFFAOYSA-N
MW237.29 g/mol
LogP4.41
Rot. Bonds2

About 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 58428802) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID58428802
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC Name2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)c1nc(C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C10H14F3NS/c1-5(2)7-8(10(11,12)13)14-9(15-7)6(3)4/h5-6H,1-4H3
InChIKeyDNPCDATURBYQIV-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 58428802) is 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole is CC(C)c1nc(C(F)(F)F)c(C(C)C)s1.
What is the InChIKey of 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is DNPCDATURBYQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c1-5(2)7-8(10(11,12)13)14-9(15-7)6(3)4/h5-6H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 237.29 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 58428802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).