N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

C17H16N4O2S — CID 95134592

IUPACN-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESCc1cn2cc(CNC(=O)C[C@H]3NC(=O)c4ccccc43)nc2s1
InChIInChI=1S/C17H16N4O2S/c1-10-8-21-9-11(19-17(21)24-10)7-18-15(22)6-14-12-4-2-3-5-13(12)16(23)20-14/h2-5,8-9,14H,6-7H2,1H3,(H,18,22)(H,20,23)/t14-/m1/s1
InChIKeyFKVUJKQGRWNKSR-CQSZACIVSA-N
MW340.41 g/mol
LogP2.20
Rot. Bonds4

About N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (PubChem CID 95134592) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
PubChem CID95134592
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESCc1cn2cc(CNC(=O)C[C@H]3NC(=O)c4ccccc43)nc2s1
InChIInChI=1S/C17H16N4O2S/c1-10-8-21-9-11(19-17(21)24-10)7-18-15(22)6-14-12-4-2-3-5-13(12)16(23)20-14/h2-5,8-9,14H,6-7H2,1H3,(H,18,22)(H,20,23)/t14-/m1/s1
InChIKeyFKVUJKQGRWNKSR-CQSZACIVSA-N
XLogP2.20
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56742276
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 126828535
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126588
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 139015179
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56861398
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97496646
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56915819
N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97489803

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The IUPAC name of N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (CID 95134592) is N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.
What is the SMILES notation for N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The canonical SMILES for N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is Cc1cn2cc(CNC(=O)C[C@H]3NC(=O)c4ccccc43)nc2s1.
What is the InChIKey of N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The InChIKey is FKVUJKQGRWNKSR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-8-21-9-11(19-17(21)24-10)7-18-15(22)6-14-12-4-2-3-5-13(12)16(23)20-14/h2-5,8-9,14H,6-7H2,1H3,(H,18,22)(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide has a molecular weight of 340.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is sourced from PubChem (CID 95134592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).