2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide

C15H21N7OS — CID 110255924

IUPAC2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
SMILESCCc1nnc(Nc2cc(C3CCCN3CC(N)=O)nc(C)n2)s1
InChIInChI=1S/C15H21N7OS/c1-3-14-20-21-15(24-14)19-13-7-10(17-9(2)18-13)11-5-4-6-22(11)8-12(16)23/h7,11H,3-6,8H2,1-2H3,(H2,16,23)(H,17,18,19,21)
InChIKeyHNUOSXBZELLMFC-UHFFFAOYSA-N
MW347.45 g/mol
LogP1.56
Rot. Bonds6

About 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide

2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide (PubChem CID 110255924) has the molecular formula C15H21N7OS and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
PubChem CID110255924
Molecular FormulaC15H21N7OS
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC Name2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
SMILESCCc1nnc(Nc2cc(C3CCCN3CC(N)=O)nc(C)n2)s1
InChIInChI=1S/C15H21N7OS/c1-3-14-20-21-15(24-14)19-13-7-10(17-9(2)18-13)11-5-4-6-22(11)8-12(16)23/h7,11H,3-6,8H2,1-2H3,(H2,16,23)(H,17,18,19,21)
InChIKeyHNUOSXBZELLMFC-UHFFFAOYSA-N
XLogP1.56
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-[2-methyl-6-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110111894
5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 125002208
(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95820547
5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820610
[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110255631
(E)-1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 132766671
2-[(2R)-2-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 95843433
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265059
N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95844414
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269550
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide (CID 110255924) is 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide is CCc1nnc(Nc2cc(C3CCCN3CC(N)=O)nc(C)n2)s1.
What is the InChIKey of 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is HNUOSXBZELLMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7OS/c1-3-14-20-21-15(24-14)19-13-7-10(17-9(2)18-13)11-5-4-6-22(11)8-12(16)23/h7,11H,3-6,8H2,1-2H3,(H2,16,23)(H,17,18,19,21).
What are the key properties of 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide?
2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 347.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110255924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).