5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole

C9H14FNS — CID 58074460

IUPAC5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole
SMILESCCc1sc(C(C)C)nc1CF
InChIInChI=1S/C9H14FNS/c1-4-8-7(5-10)11-9(12-8)6(2)3/h6H,4-5H2,1-3H3
InChIKeySYIODGMRDDAOFB-UHFFFAOYSA-N
MW187.28 g/mol
LogP3.30
Rot. Bonds3

About 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole

5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 58074460) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole
PubChem CID58074460
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole
SMILESCCc1sc(C(C)C)nc1CF
InChIInChI=1S/C9H14FNS/c1-4-8-7(5-10)11-9(12-8)6(2)3/h6H,4-5H2,1-3H3
InChIKeySYIODGMRDDAOFB-UHFFFAOYSA-N
XLogP3.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole (CID 58074460) is 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole is CCc1sc(C(C)C)nc1CF.
What is the InChIKey of 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is SYIODGMRDDAOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNS/c1-4-8-7(5-10)11-9(12-8)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole?
5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 187.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58074460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).