[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

C20H22N6OS2 — CID 144814731

IUPAC[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CC[C@@H]4CNC5)cn3)n2)s1
InChIInChI=1S/C20H22N6OS2/c1-11-18(29-12(2)23-11)16-10-28-20(24-16)25-17-6-3-13(7-22-17)19(27)26-14-4-5-15(26)9-21-8-14/h3,6-7,10,14-15,21H,4-5,8-9H2,1-2H3,(H,22,24,25)/t14-,15?/m1/s1
InChIKeyCSGDDYVNUZZZQY-GICMACPYSA-N
MW426.57 g/mol
LogP3.60
Rot. Bonds4

About [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 144814731) has the molecular formula C20H22N6OS2 and a molecular weight of 426.57 g/mol. Its IUPAC name is [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
PubChem CID144814731
Molecular FormulaC20H22N6OS2
Molecular Weight426.57 g/mol
Exact Mass426.13
IUPAC Name[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CC[C@@H]4CNC5)cn3)n2)s1
InChIInChI=1S/C20H22N6OS2/c1-11-18(29-12(2)23-11)16-10-28-20(24-16)25-17-6-3-13(7-22-17)19(27)26-14-4-5-15(26)9-21-8-14/h3,6-7,10,14-15,21H,4-5,8-9H2,1-2H3,(H,22,24,25)/t14-,15?/m1/s1
InChIKeyCSGDDYVNUZZZQY-GICMACPYSA-N
XLogP3.60
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1S,5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 144814615
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 130236059
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 171369497
9-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 134134782
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(4-hydroxypiperidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 144814489
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one
CID 134134519
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]ethanone
CID 144814251
cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121476958
(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121476780
(1S,5R)-8-[6-[[4-[2-[(1S)-1-hydroxyethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 121476968
(1R,5S)-8-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzoyl]-8-azabicyclo[3.2.1]octan-3-one
CID 144814612
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1S,5R)-3-[2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 144984170

Frequently Asked Questions

What is the IUPAC name of [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (CID 144814731) is [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CC[C@@H]4CNC5)cn3)n2)s1.
What is the InChIKey of [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The InChIKey is CSGDDYVNUZZZQY-GICMACPYSA-N. The full InChI is InChI=1S/C20H22N6OS2/c1-11-18(29-12(2)23-11)16-10-28-20(24-16)25-17-6-3-13(7-22-17)19(27)26-14-4-5-15(26)9-21-8-14/h3,6-7,10,14-15,21H,4-5,8-9H2,1-2H3,(H,22,24,25)/t14-,15?/m1/s1.
What are the key properties of [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 426.57 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 144814731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).