2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide

C13H18N6O2S — CID 131909854

IUPAC2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESNc1nnnn1CC(=O)N(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C13H18N6O2S/c14-13-15-16-17-19(13)8-12(20)18(6-10-3-5-22-9-10)7-11-2-1-4-21-11/h3,5,9,11H,1-2,4,6-8H2,(H2,14,15,17)
InChIKeyHPMGLKBCVOSHIE-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.52
Rot. Bonds6

About 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide

2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 131909854) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID131909854
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC Name2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESNc1nnnn1CC(=O)N(Cc1ccsc1)CC1CCCO1
InChIInChI=1S/C13H18N6O2S/c14-13-15-16-17-19(13)8-12(20)18(6-10-3-5-22-9-10)7-11-2-1-4-21-11/h3,5,9,11H,1-2,4,6-8H2,(H2,14,15,17)
InChIKeyHPMGLKBCVOSHIE-UHFFFAOYSA-N
XLogP0.52
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-methyltetrazol-5-yl)sulfanyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 46986614
N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
CID 99940406
N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 56912083
3-(1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 46999216
1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 72915595
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 99930542
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
6-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
CID 50981472
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-pyridin-4-ylethyl)-1-(thiophen-3-ylmethyl)urea
CID 126450055
3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97456365
1,3-dimethyl-2,6-dioxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyrimidine-4-carboxamide
CID 72921658
3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 126453947

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide (CID 131909854) is 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide is Nc1nnnn1CC(=O)N(Cc1ccsc1)CC1CCCO1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is HPMGLKBCVOSHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c14-13-15-16-17-19(13)8-12(20)18(6-10-3-5-22-9-10)7-11-2-1-4-21-11/h3,5,9,11H,1-2,4,6-8H2,(H2,14,15,17).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide?
2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.52, 6 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)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 131909854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).