2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C13H18N6O2S — CID 95291335

IUPAC2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cnn(C[C@H]2CN(CC(=O)Nc3nncs3)CCO2)c1
InChIInChI=1S/C13H18N6O2S/c1-10-4-15-19(5-10)7-11-6-18(2-3-21-11)8-12(20)16-13-17-14-9-22-13/h4-5,9,11H,2-3,6-8H2,1H3,(H,16,17,20)/t11-/m1/s1
InChIKeyVLFUSBSMQLKUAT-LLVKDONJSA-N
MW322.39 g/mol
LogP0.38
Rot. Bonds5

About 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 95291335) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID95291335
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC Name2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cnn(C[C@H]2CN(CC(=O)Nc3nncs3)CCO2)c1
InChIInChI=1S/C13H18N6O2S/c1-10-4-15-19(5-10)7-11-6-18(2-3-21-11)8-12(20)16-13-17-14-9-22-13/h4-5,9,11H,2-3,6-8H2,1H3,(H,16,17,20)/t11-/m1/s1
InChIKeyVLFUSBSMQLKUAT-LLVKDONJSA-N
XLogP0.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95299136
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 95383272
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98153752
N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95285121
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86895521
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95349388
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 86895516
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895517
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-(2-thiophen-2-ylethyl)morpholine
CID 95301599
5,5-dimethyl-3-[2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 95285040
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 95291335) is 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cnn(C[C@H]2CN(CC(=O)Nc3nncs3)CCO2)c1.
What is the InChIKey of 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VLFUSBSMQLKUAT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-10-4-15-19(5-10)7-11-6-18(2-3-21-11)8-12(20)16-13-17-14-9-22-13/h4-5,9,11H,2-3,6-8H2,1H3,(H,16,17,20)/t11-/m1/s1.
What are the key properties of 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 95291335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).