N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

C12H16F3N3OS — CID 119813031

IUPACN-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)CC1CCCN1
InChIInChI=1S/C12H16F3N3OS/c1-18(11(19)5-8-3-2-4-16-8)6-10-17-9(7-20-10)12(13,14)15/h7-8,16H,2-6H2,1H3
InChIKeyLCTBXBREOGOMCL-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 119813031) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID119813031
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC NameN-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)CC1CCCN1
InChIInChI=1S/C12H16F3N3OS/c1-18(11(19)5-8-3-2-4-16-8)6-10-17-9(7-20-10)12(13,14)15/h7-8,16H,2-6H2,1H3
InChIKeyLCTBXBREOGOMCL-UHFFFAOYSA-N
XLogP2.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 119813031) is N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)CC1CCCN1.
What is the InChIKey of N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is LCTBXBREOGOMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-18(11(19)5-8-3-2-4-16-8)6-10-17-9(7-20-10)12(13,14)15/h7-8,16H,2-6H2,1H3.
What are the key properties of N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 307.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 119813031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).