2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C13H18N6OS — CID 95569810

IUPAC2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)s1
InChIInChI=1S/C13H18N6OS/c1-9-16-17-13(21-9)15-12(20)8-19-5-3-4-11(19)10-6-14-18(2)7-10/h6-7,11H,3-5,8H2,1-2H3,(H,15,17,20)/t11-/m1/s1
InChIKeyHQIQVYUWEWPDJY-LLVKDONJSA-N
MW306.40 g/mol
LogP1.36
Rot. Bonds4

About 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 95569810) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID95569810
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)s1
InChIInChI=1S/C13H18N6OS/c1-9-16-17-13(21-9)15-12(20)8-19-5-3-4-11(19)10-6-14-18(2)7-10/h6-7,11H,3-5,8H2,1-2H3,(H,15,17,20)/t11-/m1/s1
InChIKeyHQIQVYUWEWPDJY-LLVKDONJSA-N
XLogP1.36
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95569857
N-(2-methylpropyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95346557
N-(dicyclopropylmethyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95318433
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569836
N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95348862
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95569827
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 100844062
1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350128
1-methyl-4-[(2R)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350127
N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95570795
N-[(R)-cyclopropyl(phenyl)methyl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569803
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56801201

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 95569810) is 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)s1.
What is the InChIKey of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HQIQVYUWEWPDJY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-9-16-17-13(21-9)15-12(20)8-19-5-3-4-11(19)10-6-14-18(2)7-10/h6-7,11H,3-5,8H2,1-2H3,(H,15,17,20)/t11-/m1/s1.
What are the key properties of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 306.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 95569810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).