4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine

C10H10F3N5O2S2 — CID 154759654

IUPAC4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine
SMILESNc1nnc(S(=O)(=O)Cc2nc(C(F)(F)F)cs2)n1C1CC1
InChIInChI=1S/C10H10F3N5O2S2/c11-10(12,13)6-3-21-7(15-6)4-22(19,20)9-17-16-8(14)18(9)5-1-2-5/h3,5H,1-2,4H2,(H2,14,16)
InChIKeyPKLHCXHLBRWXKW-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.64
Rot. Bonds4

About 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine

4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine (PubChem CID 154759654) has the molecular formula C10H10F3N5O2S2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine
PubChem CID154759654
Molecular FormulaC10H10F3N5O2S2
Molecular Weight353.35 g/mol
Exact Mass353.02
IUPAC Name4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine
SMILESNc1nnc(S(=O)(=O)Cc2nc(C(F)(F)F)cs2)n1C1CC1
InChIInChI=1S/C10H10F3N5O2S2/c11-10(12,13)6-3-21-7(15-6)4-22(19,20)9-17-16-8(14)18(9)5-1-2-5/h3,5H,1-2,4H2,(H2,14,16)
InChIKeyPKLHCXHLBRWXKW-UHFFFAOYSA-N
XLogP1.64
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine (CID 154759654) is 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine is Nc1nnc(S(=O)(=O)Cc2nc(C(F)(F)F)cs2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine?
The InChIKey is PKLHCXHLBRWXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2S2/c11-10(12,13)6-3-21-7(15-6)4-22(19,20)9-17-16-8(14)18(9)5-1-2-5/h3,5H,1-2,4H2,(H2,14,16).
What are the key properties of 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine?
4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine has a molecular weight of 353.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 154759654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).