(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide

C21H29N5O3S — CID 92564036

IUPAC(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
SMILESCc1csc2c([C@@H]3CCCN(C(=O)CCC(=O)N4CCC[C@@H]4C(N)=O)C3)nc(C)n12
InChIInChI=1S/C21H29N5O3S/c1-13-12-30-21-19(23-14(2)26(13)21)15-5-3-9-24(11-15)17(27)7-8-18(28)25-10-4-6-16(25)20(22)29/h12,15-16H,3-11H2,1-2H3,(H2,22,29)/t15-,16-/m1/s1
InChIKeyOILLKQDLKPSJOZ-HZPDHXFCSA-N
MW431.56 g/mol
LogP1.98
Rot. Bonds5

About (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide

(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide (PubChem CID 92564036) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
PubChem CID92564036
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
SMILESCc1csc2c([C@@H]3CCCN(C(=O)CCC(=O)N4CCC[C@@H]4C(N)=O)C3)nc(C)n12
InChIInChI=1S/C21H29N5O3S/c1-13-12-30-21-19(23-14(2)26(13)21)15-5-3-9-24(11-15)17(27)7-8-18(28)25-10-4-6-16(25)20(22)29/h12,15-16H,3-11H2,1-2H3,(H2,22,29)/t15-,16-/m1/s1
InChIKeyOILLKQDLKPSJOZ-HZPDHXFCSA-N
XLogP1.98
TPSA101.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 92564064
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92564083
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92564091
3-[4-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
CID 46956115
(5S)-5-[3-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 92564147
2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 95811568
2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564268
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
3-[2-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92564157
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
ethyl 2-[2-[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8581459
2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide
CID 95828012

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide (CID 92564036) is (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide is Cc1csc2c([C@@H]3CCCN(C(=O)CCC(=O)N4CCC[C@@H]4C(N)=O)C3)nc(C)n12.
What is the InChIKey of (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is OILLKQDLKPSJOZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-13-12-30-21-19(23-14(2)26(13)21)15-5-3-9-24(11-15)17(27)7-8-18(28)25-10-4-6-16(25)20(22)29/h12,15-16H,3-11H2,1-2H3,(H2,22,29)/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide?
(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 92564036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).