[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

C16H25N3OS — CID 72917432

IUPAC[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C
InChIInChI=1S/C16H25N3OS/c1-10(2)15-17-11(3)14(21-15)16(20)19-8-7-12-5-6-13(9-19)18(12)4/h10,12-13H,5-9H2,1-4H3/t12-,13+/m0/s1
InChIKeyQCXDHKXZXYKZOG-QWHCGFSZSA-N
MW307.46 g/mol
LogP2.88
Rot. Bonds2

About [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 72917432) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID72917432
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C
InChIInChI=1S/C16H25N3OS/c1-10(2)15-17-11(3)14(21-15)16(20)19-8-7-12-5-6-13(9-19)18(12)4/h10,12-13H,5-9H2,1-4H3/t12-,13+/m0/s1
InChIKeyQCXDHKXZXYKZOG-QWHCGFSZSA-N
XLogP2.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 72929883
1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 56812669
methyl (2S)-2-hydroxy-2-[1-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetate
CID 97002664
4-[[1-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56909941
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 95223344
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 95578533
[2-(aminomethyl)morpholin-4-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 154891717
(4aS,8aS)-1-methyl-7-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135112905
(3S)-1-[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610485
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97146396
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 72896278
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 72917432) is [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C.
What is the InChIKey of [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is QCXDHKXZXYKZOG-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-10(2)15-17-11(3)14(21-15)16(20)19-8-7-12-5-6-13(9-19)18(12)4/h10,12-13H,5-9H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 307.46 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 72917432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).