N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C14H20N6OS — CID 95750798

IUPACN-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1nncs1
InChIInChI=1S/C14H20N6OS/c1-9-13(10(2)19(3)18-9)11-5-4-6-20(11)7-12(21)16-14-17-15-8-22-14/h8,11H,4-7H2,1-3H3,(H,16,17,21)/t11-/m0/s1
InChIKeyMFXRHIARWUYTLT-NSHDSACASA-N
MW320.42 g/mol
LogP1.66
Rot. Bonds4

About N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 95750798) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID95750798
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1nncs1
InChIInChI=1S/C14H20N6OS/c1-9-13(10(2)19(3)18-9)11-5-4-6-20(11)7-12(21)16-14-17-15-8-22-14/h8,11H,4-7H2,1-3H3,(H,16,17,21)/t11-/m0/s1
InChIKeyMFXRHIARWUYTLT-NSHDSACASA-N
XLogP1.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95757763
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 97008727
N-(dicyclopropylmethyl)-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95610221
2-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 97018609
2-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 71872681
N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780721
N-(1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 29370688
N-(1,3,4-thiadiazol-2-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56805329
2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 129473756
2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95569857
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17401356
N-(2-acetamidoethyl)-2-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 96500485

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 95750798) is N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1nncs1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is MFXRHIARWUYTLT-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N6OS/c1-9-13(10(2)19(3)18-9)11-5-4-6-20(11)7-12(21)16-14-17-15-8-22-14/h8,11H,4-7H2,1-3H3,(H,16,17,21)/t11-/m0/s1.
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95750798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).