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

C12H16F3N3OS — CID 106047540

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CCNC(=O)C2(C(F)(F)F)CCNC2)cs1
InChIInChI=1S/C12H16F3N3OS/c1-8-18-9(6-20-8)2-4-17-10(19)11(12(13,14)15)3-5-16-7-11/h6,16H,2-5,7H2,1H3,(H,17,19)
InChIKeyZHJGACFATVMSHC-UHFFFAOYSA-N
MW307.34 g/mol
LogP1.65
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106047540) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106047540
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(CCNC(=O)C2(C(F)(F)F)CCNC2)cs1
InChIInChI=1S/C12H16F3N3OS/c1-8-18-9(6-20-8)2-4-17-10(19)11(12(13,14)15)3-5-16-7-11/h6,16H,2-5,7H2,1H3,(H,17,19)
InChIKeyZHJGACFATVMSHC-UHFFFAOYSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106047540) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1nc(CCNC(=O)C2(C(F)(F)F)CCNC2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZHJGACFATVMSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-8-18-9(6-20-8)2-4-17-10(19)11(12(13,14)15)3-5-16-7-11/h6,16H,2-5,7H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106047540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).