4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

C10H14F3NOS — CID 103151266

IUPAC4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESCCCc1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3NOS/c1-2-3-8-6-16-9(14-8)4-5-15-7-10(11,12)13/h6H,2-5,7H2,1H3
InChIKeySAGIMMKWLDSSME-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.22
Rot. Bonds6

About 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 103151266) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
PubChem CID103151266
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESCCCc1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3NOS/c1-2-3-8-6-16-9(14-8)4-5-15-7-10(11,12)13/h6H,2-5,7H2,1H3
InChIKeySAGIMMKWLDSSME-UHFFFAOYSA-N
XLogP3.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-4-propylthiazole
CID 53754611
2,4-Dipropylthiazole
CID 588182
2-Methyl-4-propylthiazole
CID 39071
4-(3-Methylbutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 58125070
4-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 58125148
2-(Difluoromethoxy)-4-ethyl-1,3-thiazole
CID 67808774
4-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 70961513
1-[2-(1,1,2,2,2-Pentafluoroethyl)-1,3-thiazol-4-yl]propan-2-yl nitrate
CID 91035290
4-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516110
Ethane;2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 143474860
Ethyl 4-(3,3,3-trifluoropropyl)-1,3-thiazole-2-carboxylate
CID 168175633
4-(2,2-Difluorocyclopropyl)-2-ethyl-1,3-thiazole;ethane
CID 172370536

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (CID 103151266) is 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is CCCc1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is SAGIMMKWLDSSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-2-3-8-6-16-9(14-8)4-5-15-7-10(11,12)13/h6H,2-5,7H2,1H3.
What are the key properties of 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 253.29 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 103151266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).