N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide

C16H21N5O2S — CID 124749261

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCCC[C@H]2c2ccccn2)s1
InChIInChI=1S/C16H21N5O2S/c1-23-11-15-19-20-16(24-15)18-14(22)10-21-9-5-3-7-13(21)12-6-2-4-8-17-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,18,20,22)/t13-/m0/s1
InChIKeyADRAWHCEAVVTHU-ZDUSSCGKSA-N
MW347.44 g/mol
LogP2.25
Rot. Bonds6

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide (PubChem CID 124749261) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide
PubChem CID124749261
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN2CCCC[C@H]2c2ccccn2)s1
InChIInChI=1S/C16H21N5O2S/c1-23-11-15-19-20-16(24-15)18-14(22)10-21-9-5-3-7-13(21)12-6-2-4-8-17-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,18,20,22)/t13-/m0/s1
InChIKeyADRAWHCEAVVTHU-ZDUSSCGKSA-N
XLogP2.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide
CID 91832530
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91838398
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91836265
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
methyl 3-[3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanoylamino]thiophene-2-carboxylate
CID 95123044
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 95136668
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide (CID 124749261) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide is COCc1nnc(NC(=O)CN2CCCC[C@H]2c2ccccn2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide?
The InChIKey is ADRAWHCEAVVTHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-23-11-15-19-20-16(24-15)18-14(22)10-21-9-5-3-7-13(21)12-6-2-4-8-17-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,18,20,22)/t13-/m0/s1.
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]acetamide is sourced from PubChem (CID 124749261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).