N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H18F3N5OS — CID 142375492

IUPACN-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cnc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C16H18F3N5OS/c1-10(25)23-15-22-6-13(26-15)9-24-3-2-11(8-24)4-12-5-21-14(7-20-12)16(17,18)19/h5-7,11H,2-4,8-9H2,1H3,(H,22,23,25)
InChIKeyZNFQCQWZGNURNA-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.97
Rot. Bonds5

About N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142375492) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142375492
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC NameN-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cnc(C(F)(F)F)cn3)C2)s1
InChIInChI=1S/C16H18F3N5OS/c1-10(25)23-15-22-6-13(26-15)9-24-3-2-11(8-24)4-12-5-21-14(7-20-12)16(17,18)19/h5-7,11H,2-4,8-9H2,1H3,(H,22,23,25)
InChIKeyZNFQCQWZGNURNA-UHFFFAOYSA-N
XLogP2.97
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[3-[[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135233
N-[5-[[3-[(5-methylpyridazin-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135529
cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 153344093
N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500930
N-[5-[[(3R)-3-[(5-fluoro-4,6-dimethylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 158570276
N-[5-[[3-[(6-methoxypyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135387
N-[5-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N-[5-[[(3R)-3-(imidazo[1,2-a]pyridin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415493
N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491347
N-[5-[[3-[(2-ethoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 157485346

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142375492) is N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3cnc(C(F)(F)F)cn3)C2)s1.
What is the InChIKey of N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZNFQCQWZGNURNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-10(25)23-15-22-6-13(26-15)9-24-3-2-11(8-24)4-12-5-21-14(7-20-12)16(17,18)19/h5-7,11H,2-4,8-9H2,1H3,(H,22,23,25).
What are the key properties of N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142375492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).