2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide

C24H25F2N5O2S — CID 118303058

IUPAC2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1cc(-c2ncc(F)cn2)ccc1F)N1CCOC2(CCC2)C1
InChIInChI=1S/C24H25F2N5O2S/c1-15-21(34-14-30-15)20(31-7-8-33-24(13-31)5-2-6-24)12-29-23(32)18-9-16(3-4-19(18)26)22-27-10-17(25)11-28-22/h3-4,9-11,14,20H,2,5-8,12-13H2,1H3,(H,29,32)
InChIKeyDHCMNBVLDPFUMS-UHFFFAOYSA-N
MW485.56 g/mol
LogP3.91
Rot. Bonds6

About 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide

2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide (PubChem CID 118303058) has the molecular formula C24H25F2N5O2S and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide
PubChem CID118303058
Molecular FormulaC24H25F2N5O2S
Molecular Weight485.56 g/mol
Exact Mass485.17
IUPAC Name2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide
SMILESCc1ncsc1C(CNC(=O)c1cc(-c2ncc(F)cn2)ccc1F)N1CCOC2(CCC2)C1
InChIInChI=1S/C24H25F2N5O2S/c1-15-21(34-14-30-15)20(31-7-8-33-24(13-31)5-2-6-24)12-29-23(32)18-9-16(3-4-19(18)26)22-27-10-17(25)11-28-22/h3-4,9-11,14,20H,2,5-8,12-13H2,1H3,(H,29,32)
InChIKeyDHCMNBVLDPFUMS-UHFFFAOYSA-N
XLogP3.91
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 118289476
2-chloro-5-(5-fluoropyrimidin-2-yl)-N-[2-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxypiperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 144898628
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CID 118303012
[4-[[2-chloro-5-(5-fluoropyrimidin-2-yl)benzoyl]amino]-3-morpholin-4-ylbut-1-en-2-yl] N-ethylmethanimidothioate
CID 134404912
N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
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5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
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2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
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5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide (CID 118303058) is 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide is Cc1ncsc1C(CNC(=O)c1cc(-c2ncc(F)cn2)ccc1F)N1CCOC2(CCC2)C1.
What is the InChIKey of 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide?
The InChIKey is DHCMNBVLDPFUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2S/c1-15-21(34-14-30-15)20(31-7-8-33-24(13-31)5-2-6-24)12-29-23(32)18-9-16(3-4-19(18)26)22-27-10-17(25)11-28-22/h3-4,9-11,14,20H,2,5-8,12-13H2,1H3,(H,29,32).
What are the key properties of 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide?
2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide has a molecular weight of 485.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-fluoropyrimidin-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)-2-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethyl]benzamide is sourced from PubChem (CID 118303058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).