5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole

C10H12F2N4O2S2 — CID 167922577

IUPAC5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CS(=O)(=O)Cc1nnn(C)c1C(F)F
InChIInChI=1S/C10H12F2N4O2S2/c1-6-8(19-5-13-6)4-20(17,18)3-7-9(10(11)12)16(2)15-14-7/h5,10H,3-4H2,1-2H3
InChIKeyZYUWJYAJZXFWPU-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.63
Rot. Bonds5

About 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole

5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole (PubChem CID 167922577) has the molecular formula C10H12F2N4O2S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole
PubChem CID167922577
Molecular FormulaC10H12F2N4O2S2
Molecular Weight322.36 g/mol
Exact Mass322.04
IUPAC Name5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CS(=O)(=O)Cc1nnn(C)c1C(F)F
InChIInChI=1S/C10H12F2N4O2S2/c1-6-8(19-5-13-6)4-20(17,18)3-7-9(10(11)12)16(2)15-14-7/h5,10H,3-4H2,1-2H3
InChIKeyZYUWJYAJZXFWPU-UHFFFAOYSA-N
XLogP1.63
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole (CID 167922577) is 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CS(=O)(=O)Cc1nnn(C)c1C(F)F.
What is the InChIKey of 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole?
The InChIKey is ZYUWJYAJZXFWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2S2/c1-6-8(19-5-13-6)4-20(17,18)3-7-9(10(11)12)16(2)15-14-7/h5,10H,3-4H2,1-2H3.
What are the key properties of 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole?
5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole has a molecular weight of 322.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylsulfonylmethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 167922577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).