4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole

C11H18FNS — CID 71059038

IUPAC4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole
SMILESCCC(C)(CC)c1sc(C)nc1CF
InChIInChI=1S/C11H18FNS/c1-5-11(4,6-2)10-9(7-12)13-8(3)14-10/h5-7H2,1-4H3
InChIKeyDFJDUCXXVTXRKC-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.00
Rot. Bonds4

About 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole

4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole (PubChem CID 71059038) has the molecular formula C11H18FNS and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole
PubChem CID71059038
Molecular FormulaC11H18FNS
Molecular Weight215.34 g/mol
Exact Mass215.11
IUPAC Name4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole
SMILESCCC(C)(CC)c1sc(C)nc1CF
InChIInChI=1S/C11H18FNS/c1-5-11(4,6-2)10-9(7-12)13-8(3)14-10/h5-7H2,1-4H3
InChIKeyDFJDUCXXVTXRKC-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole?
The IUPAC name of 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole (CID 71059038) is 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole is CCC(C)(CC)c1sc(C)nc1CF.
What is the InChIKey of 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole?
The InChIKey is DFJDUCXXVTXRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNS/c1-5-11(4,6-2)10-9(7-12)13-8(3)14-10/h5-7H2,1-4H3.
What are the key properties of 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole?
4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole has a molecular weight of 215.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methyl-5-(3-methylpentan-3-yl)-1,3-thiazole is sourced from PubChem (CID 71059038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).