N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H22N6OS — CID 142415460

IUPACN-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](Cc3nccn4c(C)cnc34)C2)s1
InChIInChI=1S/C18H22N6OS/c1-12-8-20-17-16(19-4-6-24(12)17)7-14-3-5-23(10-14)11-15-9-21-18(26-15)22-13(2)25/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,21,22,25)/t14-/m1/s1
InChIKeyXOBMWQWTYVQNQS-CQSZACIVSA-N
MW370.48 g/mol
LogP2.52
Rot. Bonds5

About N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415460) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415460
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](Cc3nccn4c(C)cnc34)C2)s1
InChIInChI=1S/C18H22N6OS/c1-12-8-20-17-16(19-4-6-24(12)17)7-14-3-5-23(10-14)11-15-9-21-18(26-15)22-13(2)25/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,21,22,25)/t14-/m1/s1
InChIKeyXOBMWQWTYVQNQS-CQSZACIVSA-N
XLogP2.52
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162654867
N-[5-[[2-(6-cyclopropylpyrazin-2-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301762
7-(Cyclohexylmethyl)-3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]purine-2,6-dione
CID 172465322
N-[5-[[(5S)-2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155804590
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
CID 86790671
N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142375492
N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472748
(7R)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339625
(7S)-N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339626
N-[5-[[3-[(5,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135154
N-[5-[[3-[(5-cyanopyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135161
N-[5-[[3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135432

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415460) is N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@H](Cc3nccn4c(C)cnc34)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XOBMWQWTYVQNQS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-12-8-20-17-16(19-4-6-24(12)17)7-14-3-5-23(10-14)11-15-9-21-18(26-15)22-13(2)25/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,21,22,25)/t14-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-[(3-methylimidazo[1,2-a]pyrazin-8-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).