1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

C15H19N5OS — CID 124567520

IUPAC1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESCCC[C@H]1SCCN1C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H19N5OS/c1-2-3-15-19(8-9-22-15)14(21)10-12-4-6-13(7-5-12)20-11-16-17-18-20/h4-7,11,15H,2-3,8-10H2,1H3/t15-/m1/s1
InChIKeyQWUMTGGRYQUCJQ-OAHLLOKOSA-N
MW317.42 g/mol
LogP1.91
Rot. Bonds5

About 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (PubChem CID 124567520) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
PubChem CID124567520
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESCCC[C@H]1SCCN1C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H19N5OS/c1-2-3-15-19(8-9-22-15)14(21)10-12-4-6-13(7-5-12)20-11-16-17-18-20/h4-7,11,15H,2-3,8-10H2,1H3/t15-/m1/s1
InChIKeyQWUMTGGRYQUCJQ-OAHLLOKOSA-N
XLogP1.91
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-propylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 39734467
(2S)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119366022
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 128984890
1-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 86730459
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 120656068
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 119423814
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 120656067
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 70767696
1-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 136533491

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (CID 124567520) is 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is CCC[C@H]1SCCN1C(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The InChIKey is QWUMTGGRYQUCJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-3-15-19(8-9-22-15)14(21)10-12-4-6-13(7-5-12)20-11-16-17-18-20/h4-7,11,15H,2-3,8-10H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone has a molecular weight of 317.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-propyl-1,3-thiazolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 124567520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).