2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

C18H22F3N5O3S — CID 118744965

IUPAC2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)NCc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5OS.C2HF3O2/c22-15(7-12-1-2-12)18-8-13-9-21-5-4-20(10-14(21)19-13)11-16-17-3-6-23-16;3-2(4,5)1(6)7/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,18,22);(H,6,7)
InChIKeyIPUSDKNQZZCEDO-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.40
Rot. Bonds6

About 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118744965) has the molecular formula C18H22F3N5O3S and a molecular weight of 445.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118744965
Molecular FormulaC18H22F3N5O3S
Molecular Weight445.47 g/mol
Exact Mass445.14
IUPAC Name2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)NCc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5OS.C2HF3O2/c22-15(7-12-1-2-12)18-8-13-9-21-5-4-20(10-14(21)19-13)11-16-17-3-6-23-16;3-2(4,5)1(6)7/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,18,22);(H,6,7)
InChIKeyIPUSDKNQZZCEDO-UHFFFAOYSA-N
XLogP2.40
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97467559
N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97467571
N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97467574
N-[[8-methyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 118743381
N-[[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
CID 118743214
N-[[8-methyl-7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 118743380
N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
CID 118743434
N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
CID 118744122
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71925808
(3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903175
(3R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903176
1-(1,3-Thiazol-4-ylmethyl)-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129003255

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (CID 118744965) is 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CC1)NCc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is IPUSDKNQZZCEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS.C2HF3O2/c22-15(7-12-1-2-12)18-8-13-9-21-5-4-20(10-14(21)19-13)11-16-17-3-6-23-16;3-2(4,5)1(6)7/h3,6,9,12H,1-2,4-5,7-8,10-11H2,(H,18,22);(H,6,7).
What are the key properties of 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?
2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 445.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).