(5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone

C13H16N4OS — CID 131701990

IUPAC(5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC2Cn2nccn2)s1
InChIInChI=1S/C13H16N4OS/c1-10-4-5-12(19-10)13(18)16-8-2-3-11(16)9-17-14-6-7-15-17/h4-7,11H,2-3,8-9H2,1H3
InChIKeyWEACLTGCXBQARD-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.95
Rot. Bonds3

About (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone

(5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 131701990) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID131701990
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC2Cn2nccn2)s1
InChIInChI=1S/C13H16N4OS/c1-10-4-5-12(19-10)13(18)16-8-2-3-11(16)9-17-14-6-7-15-17/h4-7,11H,2-3,8-9H2,1H3
InChIKeyWEACLTGCXBQARD-UHFFFAOYSA-N
XLogP1.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915
[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 125004668
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
CID 130645542
N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 56779315
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 58714770
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79030355
tert-butyl (2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 81004290
5-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119184052
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119033810
1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540609

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 131701990) is (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC2Cn2nccn2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is WEACLTGCXBQARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-10-4-5-12(19-10)13(18)16-8-2-3-11(16)9-17-14-6-7-15-17/h4-7,11H,2-3,8-9H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone?
(5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 276.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[2-(triazol-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 131701990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).