N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C14H8ClF3N4S — CID 122192405

IUPACN-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)nc1
InChIInChI=1S/C14H8ClF3N4S/c15-9-2-4-12(20-6-9)22-13-21-11(7-23-13)10-3-1-8(5-19-10)14(16,17)18/h1-7H,(H,20,21,22)
InChIKeyNYQUAWPXMTUXMB-UHFFFAOYSA-N
MW356.76 g/mol
LogP5.02
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 122192405) has the molecular formula C14H8ClF3N4S and a molecular weight of 356.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID122192405
Molecular FormulaC14H8ClF3N4S
Molecular Weight356.76 g/mol
Exact Mass356.01
IUPAC NameN-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)nc1
InChIInChI=1S/C14H8ClF3N4S/c15-9-2-4-12(20-6-9)22-13-21-11(7-23-13)10-3-1-8(5-19-10)14(16,17)18/h1-7H,(H,20,21,22)
InChIKeyNYQUAWPXMTUXMB-UHFFFAOYSA-N
XLogP5.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.76
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 122192405) is N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is NYQUAWPXMTUXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4S/c15-9-2-4-12(20-6-9)22-13-21-11(7-23-13)10-3-1-8(5-19-10)14(16,17)18/h1-7H,(H,20,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 356.76 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 122192405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).