2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole

C9H13F2NS — CID 58305844

IUPAC2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(C)(C)c1ncc(C(C)(F)F)s1
InChIInChI=1S/C9H13F2NS/c1-8(2,3)7-12-5-6(13-7)9(4,10)11/h5H,1-4H3
InChIKeyJBCBWTCFNRNMPV-UHFFFAOYSA-N
MW205.27 g/mol
LogP3.55
Rot. Bonds1

About 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole

2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole (PubChem CID 58305844) has the molecular formula C9H13F2NS and a molecular weight of 205.27 g/mol. Its IUPAC name is 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
PubChem CID58305844
Molecular FormulaC9H13F2NS
Molecular Weight205.27 g/mol
Exact Mass205.07
IUPAC Name2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(C)(C)c1ncc(C(C)(F)F)s1
InChIInChI=1S/C9H13F2NS/c1-8(2,3)7-12-5-6(13-7)9(4,10)11/h5H,1-4H3
InChIKeyJBCBWTCFNRNMPV-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole (CID 58305844) is 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole is CC(C)(C)c1ncc(C(C)(F)F)s1.
What is the InChIKey of 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole?
The InChIKey is JBCBWTCFNRNMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NS/c1-8(2,3)7-12-5-6(13-7)9(4,10)11/h5H,1-4H3.
What are the key properties of 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole?
2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole has a molecular weight of 205.27 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 58305844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).