2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole

C15H16N4S2 — CID 91833919

IUPAC2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
SMILESCc1nnsc1CN1CCCC1c1nc2ccccc2s1
InChIInChI=1S/C15H16N4S2/c1-10-14(21-18-17-10)9-19-8-4-6-12(19)15-16-11-5-2-3-7-13(11)20-15/h2-3,5,7,12H,4,6,8-9H2,1H3
InChIKeyOBTVXIIWQABYNZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.79
Rot. Bonds3

About 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole

2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole (PubChem CID 91833919) has the molecular formula C15H16N4S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
PubChem CID91833919
Molecular FormulaC15H16N4S2
Molecular Weight316.45 g/mol
Exact Mass316.08
IUPAC Name2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
SMILESCc1nnsc1CN1CCCC1c1nc2ccccc2s1
InChIInChI=1S/C15H16N4S2/c1-10-14(21-18-17-10)9-19-8-4-6-12(19)15-16-11-5-2-3-7-13(11)20-15/h2-3,5,7,12H,4,6,8-9H2,1H3
InChIKeyOBTVXIIWQABYNZ-UHFFFAOYSA-N
XLogP3.79
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 95721054
2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55625854
5-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 18167614
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8709358
3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propanenitrile
CID 26607611
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-1-ol
CID 110931453
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78790074
2-[(2S)-1-(quinolin-8-ylmethyl)pyrrolidin-2-yl]-1,3-benzothiazole
CID 51485104
1-(azepan-1-yl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 8893521
2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole
CID 43054216
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135767703
2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 9135816

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole (CID 91833919) is 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole is Cc1nnsc1CN1CCCC1c1nc2ccccc2s1.
What is the InChIKey of 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
The InChIKey is OBTVXIIWQABYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S2/c1-10-14(21-18-17-10)9-19-8-4-6-12(19)15-16-11-5-2-3-7-13(11)20-15/h2-3,5,7,12H,4,6,8-9H2,1H3.
What are the key properties of 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole?
2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole has a molecular weight of 316.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylthiadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 91833919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).