2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

C16H14F3N5S2 — CID 91001719

IUPAC2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2csc(N3CCCC3)n2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C16H14F3N5S2/c1-9-6-10(11-7-26-15(22-11)24-4-2-3-5-24)21-13(20-9)14-23-12(8-25-14)16(17,18)19/h6-8H,2-5H2,1H3
InChIKeyMYUBNHFPNKNUIH-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.65
Rot. Bonds3

About 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 91001719) has the molecular formula C16H14F3N5S2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID91001719
Molecular FormulaC16H14F3N5S2
Molecular Weight397.45 g/mol
Exact Mass397.06
IUPAC Name2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cc(-c2csc(N3CCCC3)n2)nc(-c2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C16H14F3N5S2/c1-9-6-10(11-7-26-15(22-11)24-4-2-3-5-24)21-13(20-9)14-23-12(8-25-14)16(17,18)19/h6-8H,2-5H2,1H3
InChIKeyMYUBNHFPNKNUIH-UHFFFAOYSA-N
XLogP4.65
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 91001719) is 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cc(-c2csc(N3CCCC3)n2)nc(-c2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MYUBNHFPNKNUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5S2/c1-9-6-10(11-7-26-15(22-11)24-4-2-3-5-24)21-13(20-9)14-23-12(8-25-14)16(17,18)19/h6-8H,2-5H2,1H3.
What are the key properties of 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 397.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 91001719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).