1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

C14H19F3N4O2S — CID 47048722

IUPAC1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1csc(CCNC(=O)N2CCCC2C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C14H19F3N4O2S/c1-9-7-24-11(20-9)4-5-18-13(23)21-6-2-3-10(21)12(22)19-8-14(15,16)17/h7,10H,2-6,8H2,1H3,(H,18,23)(H,19,22)
InChIKeyJIBBIZWZSJRHGT-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.85
Rot. Bonds5

About 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 47048722) has the molecular formula C14H19F3N4O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID47048722
Molecular FormulaC14H19F3N4O2S
Molecular Weight364.39 g/mol
Exact Mass364.12
IUPAC Name1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1csc(CCNC(=O)N2CCCC2C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C14H19F3N4O2S/c1-9-7-24-11(20-9)4-5-18-13(23)21-6-2-3-10(21)12(22)19-8-14(15,16)17/h7,10H,2-6,8H2,1H3,(H,18,23)(H,19,22)
InChIKeyJIBBIZWZSJRHGT-UHFFFAOYSA-N
XLogP1.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (CID 47048722) is 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is Cc1csc(CCNC(=O)N2CCCC2C(=O)NCC(F)(F)F)n1.
What is the InChIKey of 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is JIBBIZWZSJRHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2S/c1-9-7-24-11(20-9)4-5-18-13(23)21-6-2-3-10(21)12(22)19-8-14(15,16)17/h7,10H,2-6,8H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 364.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 47048722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).