2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide

C16H24N8OS — CID 72912535

IUPAC2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NCc1csc(N2CCCC2)n1
InChIInChI=1S/C16H24N8OS/c25-15(11-24-14(19-20-21-24)10-22-5-1-2-6-22)17-9-13-12-26-16(18-13)23-7-3-4-8-23/h12H,1-11H2,(H,17,25)
InChIKeyLOCBZAFRDGSBSJ-UHFFFAOYSA-N
MW376.49 g/mol
LogP0.64
Rot. Bonds7

About 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide

2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 72912535) has the molecular formula C16H24N8OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID72912535
Molecular FormulaC16H24N8OS
Molecular Weight376.49 g/mol
Exact Mass376.18
IUPAC Name2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(Cn1nnnc1CN1CCCC1)NCc1csc(N2CCCC2)n1
InChIInChI=1S/C16H24N8OS/c25-15(11-24-14(19-20-21-24)10-22-5-1-2-6-22)17-9-13-12-26-16(18-13)23-7-3-4-8-23/h12H,1-11H2,(H,17,25)
InChIKeyLOCBZAFRDGSBSJ-UHFFFAOYSA-N
XLogP0.64
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 72879777
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 26412938
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 45212940
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70779660
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 118779507
cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 56908759
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 29086777
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 25287941
2-methoxy-1-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158694
N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 45250145

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 72912535) is 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide is O=C(Cn1nnnc1CN1CCCC1)NCc1csc(N2CCCC2)n1.
What is the InChIKey of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is LOCBZAFRDGSBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8OS/c25-15(11-24-14(19-20-21-24)10-22-5-1-2-6-22)17-9-13-12-26-16(18-13)23-7-3-4-8-23/h12H,1-11H2,(H,17,25).
What are the key properties of 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 376.49 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 72912535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).