2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole

C10H11F3N4S2 — CID 133495194

IUPAC2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nnc(Sc2nc(C(F)(F)F)cs2)n1C(C)C
InChIInChI=1S/C10H11F3N4S2/c1-5(2)17-6(3)15-16-8(17)19-9-14-7(4-18-9)10(11,12)13/h4-5H,1-3H3
InChIKeyPLEJKINYBNHLQA-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.79
Rot. Bonds3

About 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133495194) has the molecular formula C10H11F3N4S2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133495194
Molecular FormulaC10H11F3N4S2
Molecular Weight308.35 g/mol
Exact Mass308.04
IUPAC Name2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nnc(Sc2nc(C(F)(F)F)cs2)n1C(C)C
InChIInChI=1S/C10H11F3N4S2/c1-5(2)17-6(3)15-16-8(17)19-9-14-7(4-18-9)10(11,12)13/h4-5H,1-3H3
InChIKeyPLEJKINYBNHLQA-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (CID 133495194) is 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is Cc1nnc(Sc2nc(C(F)(F)F)cs2)n1C(C)C.
What is the InChIKey of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PLEJKINYBNHLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S2/c1-5(2)17-6(3)15-16-8(17)19-9-14-7(4-18-9)10(11,12)13/h4-5H,1-3H3.
What are the key properties of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 308.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133495194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).