1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide

C15H20N6OS — CID 134063872

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1NNNN1)C1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C15H20N6OS/c22-13(17-14-18-20-21-19-14)15(7-3-4-8-15)9-12-16-10-5-1-2-6-11(10)23-12/h1-2,5-6,14,18-21H,3-4,7-9H2,(H,17,22)
InChIKeyMTGGIFTUOPVXRC-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.92
Rot. Bonds4

About 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide

1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide (PubChem CID 134063872) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide
PubChem CID134063872
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1NNNN1)C1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C15H20N6OS/c22-13(17-14-18-20-21-19-14)15(7-3-4-8-15)9-12-16-10-5-1-2-6-11(10)23-12/h1-2,5-6,14,18-21H,3-4,7-9H2,(H,17,22)
InChIKeyMTGGIFTUOPVXRC-UHFFFAOYSA-N
XLogP0.92
TPSA90.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 8849903
N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 9319098
1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide
CID 43021084
1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 71885629
[4-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarbonyl]piperazin-1-yl]-phenylmethanone
CID 39948999
[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-(4-phenylpiperazin-1-yl)methanone
CID 39954191
3-(1,3-benzothiazol-2-ylmethyl)-1,1-dioxothiolane-3-carboxylic acid
CID 104632352
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 43027224
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 43027221
2-[(2-cyclopropylazepan-2-yl)methyl]-1,3-benzothiazole
CID 79826728

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide (CID 134063872) is 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide is O=C(NC1NNNN1)C1(Cc2nc3ccccc3s2)CCCC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide?
The InChIKey is MTGGIFTUOPVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c22-13(17-14-18-20-21-19-14)15(7-3-4-8-15)9-12-16-10-5-1-2-6-11(10)23-12/h1-2,5-6,14,18-21H,3-4,7-9H2,(H,17,22).
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide?
1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 0.92, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 134063872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).