2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide

C10H8ClF3N6OS — CID 2386457

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESNc1nc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n[nH]1
InChIInChI=1S/C10H8ClF3N6OS/c11-5-1-4(10(12,13)14)2-16-7(5)17-6(21)3-22-9-18-8(15)19-20-9/h1-2H,3H2,(H,16,17,21)(H3,15,18,19,20)
InChIKeySSARJBDLKPLDQX-UHFFFAOYSA-N
MW352.73 g/mol
LogP2.18
Rot. Bonds4

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 2386457) has the molecular formula C10H8ClF3N6OS and a molecular weight of 352.73 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID2386457
Molecular FormulaC10H8ClF3N6OS
Molecular Weight352.73 g/mol
Exact Mass352.01
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESNc1nc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n[nH]1
InChIInChI=1S/C10H8ClF3N6OS/c11-5-1-4(10(12,13)14)2-16-7(5)17-6(21)3-22-9-18-8(15)19-20-9/h1-2H,3H2,(H,16,17,21)(H3,15,18,19,20)
InChIKeySSARJBDLKPLDQX-UHFFFAOYSA-N
XLogP2.18
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 2386457) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide is Nc1nc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is SSARJBDLKPLDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N6OS/c11-5-1-4(10(12,13)14)2-16-7(5)17-6(21)3-22-9-18-8(15)19-20-9/h1-2H,3H2,(H,16,17,21)(H3,15,18,19,20).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 352.73 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 2386457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).