6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine

C22H26FN5OS2 — CID 45487447

IUPAC6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(CF)c(C)s3)n2)n1
InChIInChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26)
InChIKeyBHHGCAUKPABREW-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.76
Rot. Bonds8

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

6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 45487447) has the molecular formula C22H26FN5OS2 and a molecular weight of 459.62 g/mol. Its IUPAC name is 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
PubChem CID45487447
Molecular FormulaC22H26FN5OS2
Molecular Weight459.62 g/mol
Exact Mass459.16
IUPAC Name6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(CF)c(C)s3)n2)n1
InChIInChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26)
InChIKeyBHHGCAUKPABREW-UHFFFAOYSA-N
XLogP4.76
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine (CID 45487447) is 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine is Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(CF)c(C)s3)n2)n1.
What is the InChIKey of 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is BHHGCAUKPABREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26).
What are the key properties of 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 459.62 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 45487447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).