(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C13H18N2OS — CID 71873404

IUPAC(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC3C(C2)C3(C)C)s1
InChIInChI=1S/C13H18N2OS/c1-7-11(17-8(2)14-7)12(16)15-5-9-10(6-15)13(9,3)4/h9-10H,5-6H2,1-4H3
InChIKeyWQICMMZWLFQHMW-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.49
Rot. Bonds1

About (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 71873404) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID71873404
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC3C(C2)C3(C)C)s1
InChIInChI=1S/C13H18N2OS/c1-7-11(17-8(2)14-7)12(16)15-5-9-10(6-15)13(9,3)4/h9-10H,5-6H2,1-4H3
InChIKeyWQICMMZWLFQHMW-UHFFFAOYSA-N
XLogP2.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891681
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 110082514
(3aS,6aR)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120684014
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208761
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 120747184
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657276
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033541

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 71873404) is (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CC3C(C2)C3(C)C)s1.
What is the InChIKey of (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is WQICMMZWLFQHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-7-11(17-8(2)14-7)12(16)15-5-9-10(6-15)13(9,3)4/h9-10H,5-6H2,1-4H3.
What are the key properties of (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 250.37 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 71873404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).