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

C9H16FNS — CID 142557513

IUPACethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole
SMILESCC.Cc1cc(C(C)(C)F)sn1
InChIInChI=1S/C7H10FNS.C2H6/c1-5-4-6(10-9-5)7(2,3)8;1-2/h4H,1-3H3;1-2H3
InChIKeyAKTULGSHPKIONC-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.68
Rot. Bonds1

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

ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole (PubChem CID 142557513) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole.

Molecular Properties

Compound Nameethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole
PubChem CID142557513
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Nameethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole
SMILESCC.Cc1cc(C(C)(C)F)sn1
InChIInChI=1S/C7H10FNS.C2H6/c1-5-4-6(10-9-5)7(2,3)8;1-2/h4H,1-3H3;1-2H3
InChIKeyAKTULGSHPKIONC-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole?
The IUPAC name of ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole (CID 142557513) is ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole.
What is the SMILES notation for ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole?
The canonical SMILES for ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole is CC.Cc1cc(C(C)(C)F)sn1.
What is the InChIKey of ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole?
The InChIKey is AKTULGSHPKIONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNS.C2H6/c1-5-4-6(10-9-5)7(2,3)8;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole?
ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole has a molecular weight of 189.30 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-fluoropropan-2-yl)-3-methyl-1,2-thiazole is sourced from PubChem (CID 142557513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).