4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide

C13H17N5O2S — CID 125432810

IUPAC4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NC[C@H]2CCCO2)c1C
InChIInChI=1S/C13H17N5O2S/c1-8-9(2)21-13(18-7-15-16-17-18)11(8)12(19)14-6-10-4-3-5-20-10/h7,10H,3-6H2,1-2H3,(H,14,19)/t10-/m1/s1
InChIKeyMEJLTQWJGPATPU-SNVBAGLBSA-N
MW307.38 g/mol
LogP1.25
Rot. Bonds4

About 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide

4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 125432810) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID125432810
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NC[C@H]2CCCO2)c1C
InChIInChI=1S/C13H17N5O2S/c1-8-9(2)21-13(18-7-15-16-17-18)11(8)12(19)14-6-10-4-3-5-20-10/h7,10H,3-6H2,1-2H3,(H,14,19)/t10-/m1/s1
InChIKeyMEJLTQWJGPATPU-SNVBAGLBSA-N
XLogP1.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 45492077
formic acid;methyl 2-[(2R,5S)-5-[[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 171707065
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432731
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 163310420
4,5-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432851
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 136538538
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
2-methyl-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110849530
N-(2-morpholin-4-ylethyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 125431205
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 30823116
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 125432810) is 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)NC[C@H]2CCCO2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is MEJLTQWJGPATPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-8-9(2)21-13(18-7-15-16-17-18)11(8)12(19)14-6-10-4-3-5-20-10/h7,10H,3-6H2,1-2H3,(H,14,19)/t10-/m1/s1.
What are the key properties of 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide?
4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 125432810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).