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

C22H27N5OS2 — CID 45487435

IUPAC6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)s3)n2)n1
InChIInChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-28-10-8-27)11-19(26-21)14-29-22-25-16(2)17(3)30-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
InChIKeyARCGKZALGSLFHM-UHFFFAOYSA-N
MW441.63 g/mol
LogP4.60
Rot. Bonds7

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

6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 45487435) has the molecular formula C22H27N5OS2 and a molecular weight of 441.63 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
PubChem CID45487435
Molecular FormulaC22H27N5OS2
Molecular Weight441.63 g/mol
Exact Mass441.17
IUPAC Name6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)s3)n2)n1
InChIInChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-28-10-8-27)11-19(26-21)14-29-22-25-16(2)17(3)30-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26)
InChIKeyARCGKZALGSLFHM-UHFFFAOYSA-N
XLogP4.60
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.63
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine (CID 45487435) is 6-[(4,5-dimethyl-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-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine is Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)s3)n2)n1.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is ARCGKZALGSLFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS2/c1-15-5-4-6-18(24-15)13-23-21-12-20(27-7-9-28-10-8-27)11-19(26-21)14-29-22-25-16(2)17(3)30-22/h4-6,11-12H,7-10,13-14H2,1-3H3,(H,23,26).
What are the key properties of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine?
6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 441.63 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(6-methyl-2-pyridinyl)methyl]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 45487435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).