5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole

C7H10FNS — CID 138553626

IUPAC5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole
SMILESCc1cc(C(C)(C)F)sn1
InChIInChI=1S/C7H10FNS/c1-5-4-6(10-9-5)7(2,3)8/h4H,1-3H3
InChIKeyHMBIZRXTRCJRQM-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.66
Rot. Bonds1

About 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole

5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole (PubChem CID 138553626) has the molecular formula C7H10FNS and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole
PubChem CID138553626
Molecular FormulaC7H10FNS
Molecular Weight159.23 g/mol
Exact Mass159.05
IUPAC Name5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole
SMILESCc1cc(C(C)(C)F)sn1
InChIInChI=1S/C7H10FNS/c1-5-4-6(10-9-5)7(2,3)8/h4H,1-3H3
InChIKeyHMBIZRXTRCJRQM-UHFFFAOYSA-N
XLogP2.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole (CID 138553626) is 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole is Cc1cc(C(C)(C)F)sn1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole?
The InChIKey is HMBIZRXTRCJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNS/c1-5-4-6(10-9-5)7(2,3)8/h4H,1-3H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole?
5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole has a molecular weight of 159.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole is sourced from PubChem (CID 138553626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).