1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C17H21N5OS — CID 56780202

IUPAC1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)Cc2cn3ccsc3n2)n1
InChIInChI=1S/C17H21N5OS/c1-12-8-13(2)22(19-12)11-15-4-3-5-21(15)16(23)9-14-10-20-6-7-24-17(20)18-14/h6-8,10,15H,3-5,9,11H2,1-2H3
InChIKeyIAHFSQAGQWFWGD-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 56780202) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID56780202
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCc1cc(C)n(CC2CCCN2C(=O)Cc2cn3ccsc3n2)n1
InChIInChI=1S/C17H21N5OS/c1-12-8-13(2)22(19-12)11-15-4-3-5-21(15)16(23)9-14-10-20-6-7-24-17(20)18-14/h6-8,10,15H,3-5,9,11H2,1-2H3
InChIKeyIAHFSQAGQWFWGD-UHFFFAOYSA-N
XLogP2.44
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 56780202) is 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is Cc1cc(C)n(CC2CCCN2C(=O)Cc2cn3ccsc3n2)n1.
What is the InChIKey of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is IAHFSQAGQWFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-8-13(2)22(19-12)11-15-4-3-5-21(15)16(23)9-14-10-20-6-7-24-17(20)18-14/h6-8,10,15H,3-5,9,11H2,1-2H3.
What are the key properties of 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 343.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 56780202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).