(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone

C12H13N5OS — CID 122331774

IUPAC(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCC1SCCN1C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H13N5OS/c1-9-16(5-6-19-9)12(18)10-3-2-4-11(7-10)17-8-13-14-15-17/h2-4,7-9H,5-6H2,1H3
InChIKeyLJAIJTJYMWZLJS-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.20
Rot. Bonds2

About (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone

(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 122331774) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID122331774
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCC1SCCN1C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H13N5OS/c1-9-16(5-6-19-9)12(18)10-3-2-4-11(7-10)17-8-13-14-15-17/h2-4,7-9H,5-6H2,1H3
InChIKeyLJAIJTJYMWZLJS-UHFFFAOYSA-N
XLogP1.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122330310
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
(7-phenyl-1,4-thiazepan-4-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 90629300
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
[3-[(dimethylamino)methyl]-1,4-thiazepan-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 90568014
[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331719
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 37333010
[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 25499914
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone (CID 122331774) is (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone is CC1SCCN1C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is LJAIJTJYMWZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-9-16(5-6-19-9)12(18)10-3-2-4-11(7-10)17-8-13-14-15-17/h2-4,7-9H,5-6H2,1H3.
What are the key properties of (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 275.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 122331774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).