[3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone

C20H19N5OS — CID 97410696

IUPAC[3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2cc(C(=O)N3CCCC3)c3ccccn23)cn1-c1nccs1
InChIInChI=1S/C20H19N5OS/c1-14-22-16(13-25(14)20-21-7-11-27-20)18-12-15(17-6-2-3-10-24(17)18)19(26)23-8-4-5-9-23/h2-3,6-7,10-13H,4-5,8-9H2,1H3
InChIKeyLZRZCPOXHPIDHJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.79
Rot. Bonds3

About [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone

[3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97410696) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID97410696
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name[3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2cc(C(=O)N3CCCC3)c3ccccn23)cn1-c1nccs1
InChIInChI=1S/C20H19N5OS/c1-14-22-16(13-25(14)20-21-7-11-27-20)18-12-15(17-6-2-3-10-24(17)18)19(26)23-8-4-5-9-23/h2-3,6-7,10-13H,4-5,8-9H2,1H3
InChIKeyLZRZCPOXHPIDHJ-UHFFFAOYSA-N
XLogP3.79
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-phenyl-1,3-thiazol-4-yl)indolizin-1-yl]-pyrrolidin-1-ylmethanone
CID 97446884
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone
CID 97446982
(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
(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone
CID 97446871
(1-methylindol-4-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 71880141
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
CID 97446851
[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 97446913
3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
CID 121229439
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 97447183
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
CID 134069675
[3-(2-benzyl-1,3-thiazol-4-yl)indolizin-1-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 97446879
[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 97446734

Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone (CID 97410696) is [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone is Cc1nc(-c2cc(C(=O)N3CCCC3)c3ccccn23)cn1-c1nccs1.
What is the InChIKey of [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LZRZCPOXHPIDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-14-22-16(13-25(14)20-21-7-11-27-20)18-12-15(17-6-2-3-10-24(17)18)19(26)23-8-4-5-9-23/h2-3,6-7,10-13H,4-5,8-9H2,1H3.
What are the key properties of [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone?
[3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 377.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methyl-1-(1,3-thiazol-2-yl)imidazol-4-yl]indolizin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97410696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).