2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole

C10H12F3N5O2S2 — CID 166232873

IUPAC2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)n1nnnc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H12F3N5O2S2/c1-6(2)18-8(15-16-17-18)4-22(19,20)5-9-14-7(3-21-9)10(11,12)13/h3,6H,4-5H2,1-2H3
InChIKeyGHLFEZRAHVGUKU-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.84
Rot. Bonds5

About 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166232873) has the molecular formula C10H12F3N5O2S2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166232873
Molecular FormulaC10H12F3N5O2S2
Molecular Weight355.37 g/mol
Exact Mass355.04
IUPAC Name2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)n1nnnc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H12F3N5O2S2/c1-6(2)18-8(15-16-17-18)4-22(19,20)5-9-14-7(3-21-9)10(11,12)13/h3,6H,4-5H2,1-2H3
InChIKeyGHLFEZRAHVGUKU-UHFFFAOYSA-N
XLogP1.84
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-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 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 166232873) is 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is CC(C)n1nnnc1CS(=O)(=O)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GHLFEZRAHVGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S2/c1-6(2)18-8(15-16-17-18)4-22(19,20)5-9-14-7(3-21-9)10(11,12)13/h3,6H,4-5H2,1-2H3.
What are the key properties of 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 355.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-yltetrazol-5-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166232873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).