5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C18H18N6O2S — CID 30937109

IUPAC5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)s1
InChIInChI=1S/C18H18N6O2S/c19-17(26)15-9-8-14(27-15)13-7-4-10-23(13)16(25)11-24-21-18(20-22-24)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,19,26)/t13-/m0/s1
InChIKeyZHLQEXKMBPSSNE-ZDUSSCGKSA-N
MW382.45 g/mol
LogP1.86
Rot. Bonds5

About 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 30937109) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID30937109
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)s1
InChIInChI=1S/C18H18N6O2S/c19-17(26)15-9-8-14(27-15)13-7-4-10-23(13)16(25)11-24-21-18(20-22-24)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,19,26)/t13-/m0/s1
InChIKeyZHLQEXKMBPSSNE-ZDUSSCGKSA-N
XLogP1.86
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 134813305
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1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
CID 78835543
(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119370606
5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45205026
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone
CID 42918290
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[5-(4-ethylphenyl)tetrazol-2-yl]ethanone
CID 9450405
3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124701783
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124694433
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 30937109) is 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide is NC(=O)c1ccc([C@@H]2CCCN2C(=O)Cn2nnc(-c3ccccc3)n2)s1.
What is the InChIKey of 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is ZHLQEXKMBPSSNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N6O2S/c19-17(26)15-9-8-14(27-15)13-7-4-10-23(13)16(25)11-24-21-18(20-22-24)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H2,19,26)/t13-/m0/s1.
What are the key properties of 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 30937109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).