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

C15H20N6OS — CID 110269550

IUPAC1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCc1nnc(Nc2cc(C)nc(C3CCN(C(C)=O)C3)n2)s1
InChIInChI=1S/C15H20N6OS/c1-4-13-19-20-15(23-13)18-12-7-9(2)16-14(17-12)11-5-6-21(8-11)10(3)22/h7,11H,4-6,8H2,1-3H3,(H,16,17,18,20)
InChIKeyFFRANRFWWKHAGN-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.28
Rot. Bonds4

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

1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110269550) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110269550
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCc1nnc(Nc2cc(C)nc(C3CCN(C(C)=O)C3)n2)s1
InChIInChI=1S/C15H20N6OS/c1-4-13-19-20-15(23-13)18-12-7-9(2)16-14(17-12)11-5-6-21(8-11)10(3)22/h7,11H,4-6,8H2,1-3H3,(H,16,17,18,20)
InChIKeyFFRANRFWWKHAGN-UHFFFAOYSA-N
XLogP2.28
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 155985320
2-hydroxy-1-[3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110095412
2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 155985337
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095429
2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 110255924
cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95842373
2-amino-1-[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 124966798
1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101094
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 110269550) is 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CCc1nnc(Nc2cc(C)nc(C3CCN(C(C)=O)C3)n2)s1.
What is the InChIKey of 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is FFRANRFWWKHAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-4-13-19-20-15(23-13)18-12-7-9(2)16-14(17-12)11-5-6-21(8-11)10(3)22/h7,11H,4-6,8H2,1-3H3,(H,16,17,18,20).
What are the key properties of 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 332.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110269550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).