2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide

C14H14N6O2S3 — CID 46639630

IUPAC2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
SMILESCC(Sc1nnnn1Cc1cccs1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C14H14N6O2S3/c1-8(12(22)16-13-10(11(15)21)4-6-24-13)25-14-17-18-19-20(14)7-9-3-2-5-23-9/h2-6,8H,7H2,1H3,(H2,15,21)(H,16,22)
InChIKeyVIEDNQSZLZACDW-UHFFFAOYSA-N
MW394.51 g/mol
LogP2.06
Rot. Bonds7

About 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide

2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide (PubChem CID 46639630) has the molecular formula C14H14N6O2S3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
PubChem CID46639630
Molecular FormulaC14H14N6O2S3
Molecular Weight394.51 g/mol
Exact Mass394.03
IUPAC Name2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
SMILESCC(Sc1nnnn1Cc1cccs1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C14H14N6O2S3/c1-8(12(22)16-13-10(11(15)21)4-6-24-13)25-14-17-18-19-20(14)7-9-3-2-5-23-9/h2-6,8H,7H2,1H3,(H2,15,21)(H,16,22)
InChIKeyVIEDNQSZLZACDW-UHFFFAOYSA-N
XLogP2.06
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-prop-2-ynyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 47145688
(2R)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 36987635
N-naphthalen-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51244536
N-(3-bromophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46649990
N-(2-bromo-4-methylphenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46639627
N-[(2-fluorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 86919369
N-[(4-chlorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51244571
2-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 17470986
2-[[(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 9382904
2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8557167
2-[[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8739840
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide (CID 46639630) is 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide is CC(Sc1nnnn1Cc1cccs1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide?
The InChIKey is VIEDNQSZLZACDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S3/c1-8(12(22)16-13-10(11(15)21)4-6-24-13)25-14-17-18-19-20(14)7-9-3-2-5-23-9/h2-6,8H,7H2,1H3,(H2,15,21)(H,16,22).
What are the key properties of 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide?
2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide has a molecular weight of 394.51 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 46639630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).