2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide

C17H18N6OS — CID 60555012

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C17H18N6OS/c24-16(19-13-7-8-15-12(10-13)4-3-9-18-15)11-25-17-20-21-22-23(17)14-5-1-2-6-14/h3-4,7-10,14H,1-2,5-6,11H2,(H,19,24)
InChIKeyGHTXQHNAJAKSGB-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.07
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide (PubChem CID 60555012) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide
PubChem CID60555012
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C17H18N6OS/c24-16(19-13-7-8-15-12(10-13)4-3-9-18-15)11-25-17-20-21-22-23(17)14-5-1-2-6-14/h3-4,7-10,14H,1-2,5-6,11H2,(H,19,24)
InChIKeyGHTXQHNAJAKSGB-UHFFFAOYSA-N
XLogP3.07
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 46670710
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31405406
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 31821740
methyl 3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]naphthalene-2-carboxylate
CID 56535103
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 43377161
N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204376
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide (CID 60555012) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide is O=C(CSc1nnnn1C1CCCC1)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide?
The InChIKey is GHTXQHNAJAKSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(19-13-7-8-15-12(10-13)4-3-9-18-15)11-25-17-20-21-22-23(17)14-5-1-2-6-14/h3-4,7-10,14H,1-2,5-6,11H2,(H,19,24).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide has a molecular weight of 354.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-quinolin-6-ylacetamide is sourced from PubChem (CID 60555012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).