N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C12H15N5OS — CID 60911129

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCCC2)c1nn[nH]n1
InChIInChI=1S/C12H15N5OS/c1-7(11-14-16-17-15-11)13-12(18)10-6-8-4-2-3-5-9(8)19-10/h6-7H,2-5H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeySHRLWMNCLJBPCO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.63
Rot. Bonds3

About N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 60911129) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID60911129
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCCC2)c1nn[nH]n1
InChIInChI=1S/C12H15N5OS/c1-7(11-14-16-17-15-11)13-12(18)10-6-8-4-2-3-5-9(8)19-10/h6-7H,2-5H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeySHRLWMNCLJBPCO-UHFFFAOYSA-N
XLogP1.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 79027802
N-[(1R)-1-pyridin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 40551890
N-butan-2-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 60629228
N-(4-bromobutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 83179713
N-(4-hydroxybutan-2-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 81047317
N-(3-oxobutan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 64996741
N-[(2R)-1-aminopropan-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 104872897
N-[(2R)-3,3-dimethylbutan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1247016
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 79246957
N-[(1R)-1-phenylethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9032455
N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 78800338
N-(1,3-dihydroxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 65312309

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 60911129) is N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC(NC(=O)c1cc2c(s1)CCCC2)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is SHRLWMNCLJBPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7(11-14-16-17-15-11)13-12(18)10-6-8-4-2-3-5-9(8)19-10/h6-7H,2-5H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60911129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).