(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one

C14H18N4O2S — CID 95210948

IUPAC(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one
SMILESCC[C@@]1(C)C(=O)NCCN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C14H18N4O2S/c1-3-14(2)12(20)15-4-5-18(14)11(19)8-10-9-17-6-7-21-13(17)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,20)/t14-/m0/s1
InChIKeyRQMZVHLPNXBRNR-AWEZNQCLSA-N
MW306.39 g/mol
LogP1.07
Rot. Bonds3

About (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one

(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one (PubChem CID 95210948) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one
PubChem CID95210948
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one
SMILESCC[C@@]1(C)C(=O)NCCN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C14H18N4O2S/c1-3-14(2)12(20)15-4-5-18(14)11(19)8-10-9-17-6-7-21-13(17)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,20)/t14-/m0/s1
InChIKeyRQMZVHLPNXBRNR-AWEZNQCLSA-N
XLogP1.07
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one with MolForge

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Related Compounds

2-ethyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 83059950
6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione
CID 115334976
3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56718537
4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazine-2,6-dione
CID 66062499
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95750560
(5R)-7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95726109
7-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911026
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylcyclohexyl)ethanone
CID 106829683
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570728
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334823
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 74238119

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one (CID 95210948) is (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one is CC[C@@]1(C)C(=O)NCCN1C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one?
The InChIKey is RQMZVHLPNXBRNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-14(2)12(20)15-4-5-18(14)11(19)8-10-9-17-6-7-21-13(17)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,20)/t14-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one?
(3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one has a molecular weight of 306.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 95210948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).