N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide

C23H29FN8OS — CID 90872494

IUPACN-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide
SMILESCC(C)CCN1CCN(c2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)CC1
InChIInChI=1S/C23H29FN8OS/c1-16(2)6-7-31-8-10-32(11-9-31)22-27-15-26-21(29-22)30-23-25-14-19(34-23)13-20(33)28-18-5-3-4-17(24)12-18/h3-5,12,14-16H,6-11,13H2,1-2H3,(H,28,33)(H,25,26,27,29,30)
InChIKeyHYXBIVFZMXEJJR-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.56
Rot. Bonds9

About N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide

N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide (PubChem CID 90872494) has the molecular formula C23H29FN8OS and a molecular weight of 484.61 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide
PubChem CID90872494
Molecular FormulaC23H29FN8OS
Molecular Weight484.61 g/mol
Exact Mass484.22
IUPAC NameN-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide
SMILESCC(C)CCN1CCN(c2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)CC1
InChIInChI=1S/C23H29FN8OS/c1-16(2)6-7-31-8-10-32(11-9-31)22-27-15-26-21(29-22)30-23-25-14-19(34-23)13-20(33)28-18-5-3-4-17(24)12-18/h3-5,12,14-16H,6-11,13H2,1-2H3,(H,28,33)(H,25,26,27,29,30)
InChIKeyHYXBIVFZMXEJJR-UHFFFAOYSA-N
XLogP3.56
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide (CID 90872494) is N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide is CC(C)CCN1CCN(c2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)n2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide?
The InChIKey is HYXBIVFZMXEJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN8OS/c1-16(2)6-7-31-8-10-32(11-9-31)22-27-15-26-21(29-22)30-23-25-14-19(34-23)13-20(33)28-18-5-3-4-17(24)12-18/h3-5,12,14-16H,6-11,13H2,1-2H3,(H,28,33)(H,25,26,27,29,30).
What are the key properties of N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide?
N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide has a molecular weight of 484.61 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[2-[[4-[4-(3-methylbutyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 90872494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).