3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

C9H11N5O3S — CID 14154240

IUPAC3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
SMILESCOc1c(C)sc(C(=O)Nc2nn[nH]n2)c1OC
InChIInChI=1S/C9H11N5O3S/c1-4-5(16-2)6(17-3)7(18-4)8(15)10-9-11-13-14-12-9/h1-3H3,(H2,10,11,12,13,14,15)
InChIKeyZTBBLRRULCULHH-UHFFFAOYSA-N
MW269.29 g/mol
LogP0.84
Rot. Bonds4

About 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide

3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide (PubChem CID 14154240) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
PubChem CID14154240
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC Name3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide
SMILESCOc1c(C)sc(C(=O)Nc2nn[nH]n2)c1OC
InChIInChI=1S/C9H11N5O3S/c1-4-5(16-2)6(17-3)7(18-4)8(15)10-9-11-13-14-12-9/h1-3H3,(H2,10,11,12,13,14,15)
InChIKeyZTBBLRRULCULHH-UHFFFAOYSA-N
XLogP0.84
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide
CID 14772776
5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673576
3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11235067
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenoxy]-1-benzothiophene-2-carboxamide
CID 91382278
5,6-dimethoxy-3-[(2R)-1-phenylpropan-2-yl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91223890
3-(3-acetamidophenoxy)-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91360519
5-methoxy-6-methyl-3-[(1S,3S)-3-methylcyclohexyl]oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 86311022
5-methoxy-6-methyl-3-(3-methylcyclohexyl)oxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11292545
tert-butyl 3-propan-2-yloxy-2-(2H-tetrazol-5-ylcarbamoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 54030024
5,6-dimethoxy-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91023062
4,5-dimethoxy-3-(naphthalen-2-ylmethoxy)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 91057617
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide (CID 14154240) is 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide is COc1c(C)sc(C(=O)Nc2nn[nH]n2)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is ZTBBLRRULCULHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c1-4-5(16-2)6(17-3)7(18-4)8(15)10-9-11-13-14-12-9/h1-3H3,(H2,10,11,12,13,14,15).
What are the key properties of 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide?
3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 269.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-methyl-N-(2H-tetrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 14154240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).