2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole

C17H21N5S — CID 136568507

IUPAC2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
SMILESCCc1c[nH]c2ncnc(N3CCCC(c4nc(C)cs4)C3)c12
InChIInChI=1S/C17H21N5S/c1-3-12-7-18-15-14(12)16(20-10-19-15)22-6-4-5-13(8-22)17-21-11(2)9-23-17/h7,9-10,13H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyKUXWQZWTVFBHEU-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.67
Rot. Bonds3

About 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole

2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole (PubChem CID 136568507) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
PubChem CID136568507
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
SMILESCCc1c[nH]c2ncnc(N3CCCC(c4nc(C)cs4)C3)c12
InChIInChI=1S/C17H21N5S/c1-3-12-7-18-15-14(12)16(20-10-19-15)22-6-4-5-13(8-22)17-21-11(2)9-23-17/h7,9-10,13H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyKUXWQZWTVFBHEU-UHFFFAOYSA-N
XLogP3.67
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

4-ethyl-2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole
CID 146084213
5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167907366
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 167813431
2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,3-thiazole
CID 86792052
1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
CID 167868077
4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 167791688
5-ethyl-4-(3-methylsulfinylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167781154
5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167944927
4-cyclobutyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 167770192
5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167867661
6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine
CID 167944379
4-cyclohexyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 167879818

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole (CID 136568507) is 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole is CCc1c[nH]c2ncnc(N3CCCC(c4nc(C)cs4)C3)c12.
What is the InChIKey of 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is KUXWQZWTVFBHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-3-12-7-18-15-14(12)16(20-10-19-15)22-6-4-5-13(8-22)17-21-11(2)9-23-17/h7,9-10,13H,3-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole?
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole has a molecular weight of 327.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 136568507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).