2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone

C10H13N7OS — CID 99972667

IUPAC2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESNc1nnnn1CC(=O)N1CCC[C@H]1c1nccs1
InChIInChI=1S/C10H13N7OS/c11-10-13-14-15-17(10)6-8(18)16-4-1-2-7(16)9-12-3-5-19-9/h3,5,7H,1-2,4,6H2,(H2,11,13,15)/t7-/m0/s1
InChIKeyCDZWRUWHIDSVLQ-ZETCQYMHSA-N
MW279.33 g/mol
LogP0.08
Rot. Bonds3

About 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone

2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 99972667) has the molecular formula C10H13N7OS and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID99972667
Molecular FormulaC10H13N7OS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESNc1nnnn1CC(=O)N1CCC[C@H]1c1nccs1
InChIInChI=1S/C10H13N7OS/c11-10-13-14-15-17(10)6-8(18)16-4-1-2-7(16)9-12-3-5-19-9/h3,5,7H,1-2,4,6H2,(H2,11,13,15)/t7-/m0/s1
InChIKeyCDZWRUWHIDSVLQ-ZETCQYMHSA-N
XLogP0.08
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone 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

2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
2-(4-phenylpiperidin-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 97190916
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97191446
2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131942046
8-methyl-2-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97283258
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 90650188
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone (CID 99972667) is 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone is Nc1nnnn1CC(=O)N1CCC[C@H]1c1nccs1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is CDZWRUWHIDSVLQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N7OS/c11-10-13-14-15-17(10)6-8(18)16-4-1-2-7(16)9-12-3-5-19-9/h3,5,7H,1-2,4,6H2,(H2,11,13,15)/t7-/m0/s1.
What are the key properties of 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone?
2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 279.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 99972667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).