[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone

C15H18N4O2S — CID 164636883

IUPAC[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
SMILESCc1noc([C@@H]2CCCN2C(=O)c2nc3c(s2)CCCC3)n1
InChIInChI=1S/C15H18N4O2S/c1-9-16-13(21-18-9)11-6-4-8-19(11)15(20)14-17-10-5-2-3-7-12(10)22-14/h11H,2-8H2,1H3/t11-/m0/s1
InChIKeyGLVKBHASIUJVKB-NSHDSACASA-N
MW318.40 g/mol
LogP2.69
Rot. Bonds2

About [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone

[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone (PubChem CID 164636883) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
PubChem CID164636883
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
SMILESCc1noc([C@@H]2CCCN2C(=O)c2nc3c(s2)CCCC3)n1
InChIInChI=1S/C15H18N4O2S/c1-9-16-13(21-18-9)11-6-4-8-19(11)15(20)14-17-10-5-2-3-7-12(10)22-14/h11H,2-8H2,1H3/t11-/m0/s1
InChIKeyGLVKBHASIUJVKB-NSHDSACASA-N
XLogP2.69
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone with MolForge

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 90564068
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-2-one
CID 90564221
(5-bromopyrimidin-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 155954695
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90564253
[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 91783633
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
(1S,6S)-6-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 51984943
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90564141
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
furan-3-yl-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95110697
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90564014
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90564112

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone?
The IUPAC name of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone (CID 164636883) is [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone is Cc1noc([C@@H]2CCCN2C(=O)c2nc3c(s2)CCCC3)n1.
What is the InChIKey of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone?
The InChIKey is GLVKBHASIUJVKB-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-16-13(21-18-9)11-6-4-8-19(11)15(20)14-17-10-5-2-3-7-12(10)22-14/h11H,2-8H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone?
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone has a molecular weight of 318.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 164636883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).