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

C13H7ClF3N5S — CID 58155049

IUPACN-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine
SMILESFC(F)(F)c1cnc(Cl)cc1Nc1ncsc1-c1ncccn1
InChIInChI=1S/C13H7ClF3N5S/c14-9-4-8(7(5-20-9)13(15,16)17)22-12-10(23-6-21-12)11-18-2-1-3-19-11/h1-6H,(H,20,22)
InChIKeyXKMQXUWCKCZDBT-UHFFFAOYSA-N
MW357.75 g/mol
LogP4.41
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine (PubChem CID 58155049) has the molecular formula C13H7ClF3N5S and a molecular weight of 357.75 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine
PubChem CID58155049
Molecular FormulaC13H7ClF3N5S
Molecular Weight357.75 g/mol
Exact Mass357.01
IUPAC NameN-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine
SMILESFC(F)(F)c1cnc(Cl)cc1Nc1ncsc1-c1ncccn1
InChIInChI=1S/C13H7ClF3N5S/c14-9-4-8(7(5-20-9)13(15,16)17)22-12-10(23-6-21-12)11-18-2-1-3-19-11/h1-6H,(H,20,22)
InChIKeyXKMQXUWCKCZDBT-UHFFFAOYSA-N
XLogP4.41
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine (CID 58155049) is N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine is FC(F)(F)c1cnc(Cl)cc1Nc1ncsc1-c1ncccn1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine?
The InChIKey is XKMQXUWCKCZDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N5S/c14-9-4-8(7(5-20-9)13(15,16)17)22-12-10(23-6-21-12)11-18-2-1-3-19-11/h1-6H,(H,20,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine?
N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine has a molecular weight of 357.75 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine is sourced from PubChem (CID 58155049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).