N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine

C23H24FN5OS — CID 155984955

IUPACN-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2cccc(C3CN(Cc4cn(C)c5ccc(F)cc45)CCO3)n2)s1
InChIInChI=1S/C23H24FN5OS/c1-15-11-25-23(31-15)27-22-5-3-4-19(26-22)21-14-29(8-9-30-21)13-16-12-28(2)20-7-6-17(24)10-18(16)20/h3-7,10-12,21H,8-9,13-14H2,1-2H3,(H,25,26,27)
InChIKeyBGZQTJZQOOTIEZ-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.79
Rot. Bonds5

About N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine

N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 155984955) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID155984955
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC NameN-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2cccc(C3CN(Cc4cn(C)c5ccc(F)cc45)CCO3)n2)s1
InChIInChI=1S/C23H24FN5OS/c1-15-11-25-23(31-15)27-22-5-3-4-19(26-22)21-14-29(8-9-30-21)13-16-12-28(2)20-7-6-17(24)10-18(16)20/h3-7,10-12,21H,8-9,13-14H2,1-2H3,(H,25,26,27)
InChIKeyBGZQTJZQOOTIEZ-UHFFFAOYSA-N
XLogP4.79
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine (CID 155984955) is N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(Nc2cccc(C3CN(Cc4cn(C)c5ccc(F)cc45)CCO3)n2)s1.
What is the InChIKey of N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is BGZQTJZQOOTIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c1-15-11-25-23(31-15)27-22-5-3-4-19(26-22)21-14-29(8-9-30-21)13-16-12-28(2)20-7-6-17(24)10-18(16)20/h3-7,10-12,21H,8-9,13-14H2,1-2H3,(H,25,26,27).
What are the key properties of N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 437.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(5-fluoro-1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155984955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).