3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide

C21H19N3OS — CID 97446816

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCCc3ccccc3)c3ccccn23)cs1
InChIInChI=1S/C21H19N3OS/c1-15-23-18(14-26-15)20-13-17(19-9-5-6-12-24(19)20)21(25)22-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,22,25)
InChIKeyVLXUBQILVUYTPE-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.34
Rot. Bonds5

About 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide

3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide (PubChem CID 97446816) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
PubChem CID97446816
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCCc3ccccc3)c3ccccn23)cs1
InChIInChI=1S/C21H19N3OS/c1-15-23-18(14-26-15)20-13-17(19-9-5-6-12-24(19)20)21(25)22-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,22,25)
InChIKeyVLXUBQILVUYTPE-UHFFFAOYSA-N
XLogP4.34
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methoxyethyl)indolizine-1-carboxamide
CID 97407423
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizine-1-carboxylic acid
CID 134069675
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446932
3-(2-ethyl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
CID 121229439
N-(2-methoxyethyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
CID 97446923
N-(2-methoxyethyl)-3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]indolizine-1-carboxamide
CID 97446967
3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446858
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
(4-methylpiperazin-1-yl)-[3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]indolizin-1-yl]methanone
CID 97446871
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide (CID 97446816) is 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide is Cc1nc(-c2cc(C(=O)NCCc3ccccc3)c3ccccn23)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide?
The InChIKey is VLXUBQILVUYTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15-23-18(14-26-15)20-13-17(19-9-5-6-12-24(19)20)21(25)22-11-10-16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,22,25).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide?
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide is sourced from PubChem (CID 97446816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).