[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone

C20H22N6O2S2 — CID 134145916

IUPAC[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CNCC4COC5)cn3)n2)s1
InChIInChI=1S/C20H22N6O2S2/c1-11-18(30-12(2)23-11)16-10-29-20(24-16)25-17-4-3-13(5-22-17)19(27)26-14-6-21-7-15(26)9-28-8-14/h3-5,10,14-15,21H,6-9H2,1-2H3,(H,22,24,25)
InChIKeyUUZAXPWRAYRYDM-UHFFFAOYSA-N
MW442.57 g/mol
LogP2.83
Rot. Bonds4

About [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone (PubChem CID 134145916) has the molecular formula C20H22N6O2S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone.

Molecular Properties

Compound Name[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone
PubChem CID134145916
Molecular FormulaC20H22N6O2S2
Molecular Weight442.57 g/mol
Exact Mass442.12
IUPAC Name[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CNCC4COC5)cn3)n2)s1
InChIInChI=1S/C20H22N6O2S2/c1-11-18(30-12(2)23-11)16-10-29-20(24-16)25-17-4-3-13(5-22-17)19(27)26-14-6-21-7-15(26)9-28-8-14/h3-5,10,14-15,21H,6-9H2,1-2H3,(H,22,24,25)
InChIKeyUUZAXPWRAYRYDM-UHFFFAOYSA-N
XLogP2.83
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone with MolForge

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Related Compounds

N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
5-(2-{[4-(4-acetylpiperazin-1-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)-N-(2-aminoethyl)nicotinamide
CID 15979751
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980349
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[2-(trifluoromethyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137660008
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 132569635
CID 134137835
CID 134137835
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-methoxyimino-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 134142854
[3-(5-Chloro-2-pyridinyl)-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 134147888
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(2,2,2-trifluoroethoxyimino)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 134156601
[3-(5-Bromopyrimidin-2-yl)-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 137632071

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone?
The IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone (CID 134145916) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone.
What is the SMILES notation for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone?
The canonical SMILES for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CNCC4COC5)cn3)n2)s1.
What is the InChIKey of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone?
The InChIKey is UUZAXPWRAYRYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S2/c1-11-18(30-12(2)23-11)16-10-29-20(24-16)25-17-4-3-13(5-22-17)19(27)26-14-6-21-7-15(26)9-28-8-14/h3-5,10,14-15,21H,6-9H2,1-2H3,(H,22,24,25).
What are the key properties of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone?
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone has a molecular weight of 442.57 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone is sourced from PubChem (CID 134145916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).