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

C14H10F3N5S — CID 70795720

IUPACN-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine
SMILESCc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1
InChIInChI=1S/C14H10F3N5S/c1-8-5-10(9(6-20-8)14(15,16)17)22-13-11(23-7-21-13)12-18-3-2-4-19-12/h2-7H,1H3,(H,20,22)
InChIKeyWJFQZQKIVWGICI-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.07
Rot. Bonds3

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

N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine (PubChem CID 70795720) has the molecular formula C14H10F3N5S and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine
PubChem CID70795720
Molecular FormulaC14H10F3N5S
Molecular Weight337.33 g/mol
Exact Mass337.06
IUPAC NameN-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine
SMILESCc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1
InChIInChI=1S/C14H10F3N5S/c1-8-5-10(9(6-20-8)14(15,16)17)22-13-11(23-7-21-13)12-18-3-2-4-19-12/h2-7H,1H3,(H,20,22)
InChIKeyWJFQZQKIVWGICI-UHFFFAOYSA-N
XLogP4.07
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine?
The IUPAC name of N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine (CID 70795720) is N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine.
What is the SMILES notation for N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine?
The canonical SMILES for N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine is Cc1cc(Nc2ncsc2-c2ncccn2)c(C(F)(F)F)cn1.
What is the InChIKey of N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine?
The InChIKey is WJFQZQKIVWGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5S/c1-8-5-10(9(6-20-8)14(15,16)17)22-13-11(23-7-21-13)12-18-3-2-4-19-12/h2-7H,1H3,(H,20,22).
What are the key properties of N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine?
N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine has a molecular weight of 337.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(trifluoromethyl)-4-pyridinyl]-5-pyrimidin-2-yl-1,3-thiazol-4-amine is sourced from PubChem (CID 70795720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).