2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C13H17N5O2S — CID 91838398

IUPAC2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCn3cccc3C2)s1
InChIInChI=1S/C13H17N5O2S/c1-20-9-12-15-16-13(21-12)14-11(19)8-17-5-6-18-4-2-3-10(18)7-17/h2-4H,5-9H2,1H3,(H,14,16,19)
InChIKeyVYUUPNUAKMBICU-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.94
Rot. Bonds5

About 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 91838398) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID91838398
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCn3cccc3C2)s1
InChIInChI=1S/C13H17N5O2S/c1-20-9-12-15-16-13(21-12)14-11(19)8-17-5-6-18-4-2-3-10(18)7-17/h2-4H,5-9H2,1H3,(H,14,16,19)
InChIKeyVYUUPNUAKMBICU-UHFFFAOYSA-N
XLogP0.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 124749261
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
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N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95120255
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CID 39069615
2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 50971714
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CID 50949830
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 95136668
2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 82210972
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
CID 124751005
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
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N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 91838398) is 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)CN2CCn3cccc3C2)s1.
What is the InChIKey of 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VYUUPNUAKMBICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-20-9-12-15-16-13(21-12)14-11(19)8-17-5-6-18-4-2-3-10(18)7-17/h2-4H,5-9H2,1H3,(H,14,16,19).
What are the key properties of 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 91838398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).