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

C9H14FNS — CID 138536791

IUPAC5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole
SMILESCC(C)c1cc(C(C)(C)F)sn1
InChIInChI=1S/C9H14FNS/c1-6(2)7-5-8(12-11-7)9(3,4)10/h5-6H,1-4H3
InChIKeyIWOSUPDDOAVPBJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP3.47
Rot. Bonds2

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

5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole (PubChem CID 138536791) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole
PubChem CID138536791
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole
SMILESCC(C)c1cc(C(C)(C)F)sn1
InChIInChI=1S/C9H14FNS/c1-6(2)7-5-8(12-11-7)9(3,4)10/h5-6H,1-4H3
InChIKeyIWOSUPDDOAVPBJ-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 53.47
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-propan-2-yl-1,2-thiazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole (CID 138536791) is 5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole is CC(C)c1cc(C(C)(C)F)sn1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole?
The InChIKey is IWOSUPDDOAVPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNS/c1-6(2)7-5-8(12-11-7)9(3,4)10/h5-6H,1-4H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole?
5-(2-fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole has a molecular weight of 187.28 g/mol, XLogP of 3.47, 2 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-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 138536791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).