(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone

C21H21N5OS2 — CID 97446871

IUPAC(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone
SMILESCc1nc(-c2nc(-c3cc(C(=O)N4CCN(C)CC4)c4ccccn34)cs2)cs1
InChIInChI=1S/C21H21N5OS2/c1-14-22-17(13-28-14)20-23-16(12-29-20)19-11-15(18-5-3-4-6-26(18)19)21(27)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3
InChIKeyHZMDISUJOAKJPD-UHFFFAOYSA-N
MW423.57 g/mol
LogP3.88
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone

(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone (PubChem CID 97446871) has the molecular formula C21H21N5OS2 and a molecular weight of 423.57 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone
PubChem CID97446871
Molecular FormulaC21H21N5OS2
Molecular Weight423.57 g/mol
Exact Mass423.12
IUPAC Name(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone
SMILESCc1nc(-c2nc(-c3cc(C(=O)N4CCN(C)CC4)c4ccccn34)cs2)cs1
InChIInChI=1S/C21H21N5OS2/c1-14-22-17(13-28-14)20-23-16(12-29-20)19-11-15(18-5-3-4-6-26(18)19)21(27)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3
InChIKeyHZMDISUJOAKJPD-UHFFFAOYSA-N
XLogP3.88
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone 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

3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
CID 134069675
[3-(2-phenyl-1,3-thiazol-4-yl)indolizin-1-yl]-pyrrolidin-1-ylmethanone
CID 97446884
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
CID 97446816
3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
CID 121229439
[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 97446891
[3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone
CID 97410696
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
CID 97446851
(4-methyl-1,4-diazepan-1-yl)-[3-(2-methyl-1-propan-2-ylimidazol-4-yl)indolizin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843445
[3-(2-benzyl-1,3-thiazol-4-yl)indolizin-1-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 97446879
1-[4-[2-methyl-1-(2-phenylethyl)-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 134082469
(4-methyl-1,4-diazepan-1-yl)-[3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155838356
1-benzyl-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 4598977

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone (CID 97446871) is (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone is Cc1nc(-c2nc(-c3cc(C(=O)N4CCN(C)CC4)c4ccccn34)cs2)cs1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone?
The InChIKey is HZMDISUJOAKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS2/c1-14-22-17(13-28-14)20-23-16(12-29-20)19-11-15(18-5-3-4-6-26(18)19)21(27)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone?
(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone has a molecular weight of 423.57 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone is sourced from PubChem (CID 97446871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).