N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C16H16F3N5O2S — CID 155495494

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CC(=O)N(c3nccs3)C2)n1
InChIInChI=1S/C16H16F3N5O2S/c1-9-6-11(16(17,18)19)23-12(22-9)2-3-20-14(26)10-7-13(25)24(8-10)15-21-4-5-27-15/h4-6,10H,2-3,7-8H2,1H3,(H,20,26)
InChIKeyKGUJHBXSKAIAII-UHFFFAOYSA-N
MW399.40 g/mol
LogP1.97
Rot. Bonds5

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 155495494) has the molecular formula C16H16F3N5O2S and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID155495494
Molecular FormulaC16H16F3N5O2S
Molecular Weight399.40 g/mol
Exact Mass399.10
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CC(=O)N(c3nccs3)C2)n1
InChIInChI=1S/C16H16F3N5O2S/c1-9-6-11(16(17,18)19)23-12(22-9)2-3-20-14(26)10-7-13(25)24(8-10)15-21-4-5-27-15/h4-6,10H,2-3,7-8H2,1H3,(H,20,26)
InChIKeyKGUJHBXSKAIAII-UHFFFAOYSA-N
XLogP1.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 155495494) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)C2CC(=O)N(c3nccs3)C2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is KGUJHBXSKAIAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2S/c1-9-6-11(16(17,18)19)23-12(22-9)2-3-20-14(26)10-7-13(25)24(8-10)15-21-4-5-27-15/h4-6,10H,2-3,7-8H2,1H3,(H,20,26).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155495494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).