2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone

C11H15N5OS — CID 47156057

IUPAC2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1cn2nc(NCC(=O)N3CCCC3)sc2n1
InChIInChI=1S/C11H15N5OS/c1-8-7-16-11(13-8)18-10(14-16)12-6-9(17)15-4-2-3-5-15/h7H,2-6H2,1H3,(H,12,14)
InChIKeyYBAQFTCNCZYUCC-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.13
Rot. Bonds3

About 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 47156057) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID47156057
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1cn2nc(NCC(=O)N3CCCC3)sc2n1
InChIInChI=1S/C11H15N5OS/c1-8-7-16-11(13-8)18-10(14-16)12-6-9(17)15-4-2-3-5-15/h7H,2-6H2,1H3,(H,12,14)
InChIKeyYBAQFTCNCZYUCC-UHFFFAOYSA-N
XLogP1.13
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115577665
N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 15357579
2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]propan-1-ol
CID 130622242
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417217
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115643786
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 112683781
2-[[4-methoxy-8-methyl-2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]amino]-1-pyrrolidin-1-ylethanone
CID 24890284
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 127447339
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 39081648
1-(azepan-1-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081542
N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 47018446

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 47156057) is 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone is Cc1cn2nc(NCC(=O)N3CCCC3)sc2n1.
What is the InChIKey of 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is YBAQFTCNCZYUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-8-7-16-11(13-8)18-10(14-16)12-6-9(17)15-4-2-3-5-15/h7H,2-6H2,1H3,(H,12,14).
What are the key properties of 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 265.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47156057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).