(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide

C15H21N5O2S — CID 51498804

IUPAC(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESCc1cc(C)n(CCc2nnc(NC(=O)[C@]3(C)CCCO3)s2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-9-11(2)20(19-10)7-5-12-17-18-14(23-12)16-13(21)15(3)6-4-8-22-15/h9H,4-8H2,1-3H3,(H,16,18,21)/t15-/m0/s1
InChIKeyAOBGQVMLUYKLST-HNNXBMFYSA-N
MW335.43 g/mol
LogP2.10
Rot. Bonds5

About (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide

(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide (PubChem CID 51498804) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
PubChem CID51498804
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
SMILESCc1cc(C)n(CCc2nnc(NC(=O)[C@]3(C)CCCO3)s2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-9-11(2)20(19-10)7-5-12-17-18-14(23-12)16-13(21)15(3)6-4-8-22-15/h9H,4-8H2,1-3H3,(H,16,18,21)/t15-/m0/s1
InChIKeyAOBGQVMLUYKLST-HNNXBMFYSA-N
XLogP2.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 110244385
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-2-carboxamide
CID 16673121
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-pyrrolidin-1-ylbenzamide
CID 46979667
5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 156584427
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 46979051
(3R)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92612407
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46979764
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 124846533
(2R)-N-[5-[(1S)-1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51592506
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023247
(2R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125023248

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide (CID 51498804) is (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide is Cc1cc(C)n(CCc2nnc(NC(=O)[C@]3(C)CCCO3)s2)n1.
What is the InChIKey of (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
The InChIKey is AOBGQVMLUYKLST-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-9-11(2)20(19-10)7-5-12-17-18-14(23-12)16-13(21)15(3)6-4-8-22-15/h9H,4-8H2,1-3H3,(H,16,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide?
(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 51498804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).