7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

C16H18FN5OS — CID 118744305

IUPAC7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC3(CCN(c4ncc(F)cn4)C3)CC2=O)cs1
InChIInChI=1S/C16H18FN5OS/c1-11-20-13(8-24-11)7-22-10-16(4-14(22)23)2-3-21(9-16)15-18-5-12(17)6-19-15/h5-6,8H,2-4,7,9-10H2,1H3
InChIKeyRFDBMCJIVYXSMW-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.01
Rot. Bonds3

About 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118744305) has the molecular formula C16H18FN5OS and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118744305
Molecular FormulaC16H18FN5OS
Molecular Weight347.42 g/mol
Exact Mass347.12
IUPAC Name7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC3(CCN(c4ncc(F)cn4)C3)CC2=O)cs1
InChIInChI=1S/C16H18FN5OS/c1-11-20-13(8-24-11)7-22-10-16(4-14(22)23)2-3-21(9-16)15-18-5-12(17)6-19-15/h5-6,8H,2-4,7,9-10H2,1H3
InChIKeyRFDBMCJIVYXSMW-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97493862
(3aR,6aS)-2-(5-ethylpyrimidin-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507619
(3aR,6aS)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507632
(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507633
(3aR,6aS)-2-(5-methylpyrimidin-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507649
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118743886
7-(5-Methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118743896
7-(5-Ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118743898
7-(5-Fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 118744298
7-(5-Methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 118744539
9-(5-Methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 118746354
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118743885

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 118744305) is 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is Cc1nc(CN2CC3(CCN(c4ncc(F)cn4)C3)CC2=O)cs1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is RFDBMCJIVYXSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5OS/c1-11-20-13(8-24-11)7-22-10-16(4-14(22)23)2-3-21(9-16)15-18-5-12(17)6-19-15/h5-6,8H,2-4,7,9-10H2,1H3.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 347.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118744305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).