azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone

C9H12N2OS — CID 130660365

IUPACazetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
SMILESCc1nc(C(=O)N2CCC2)sc1C
InChIInChI=1S/C9H12N2OS/c1-6-7(2)13-8(10-6)9(12)11-4-3-5-11/h3-5H2,1-2H3
InChIKeyQZVXBNMNGAUHDY-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.61
Rot. Bonds1

About azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone

azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone (PubChem CID 130660365) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
PubChem CID130660365
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Nameazetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
SMILESCc1nc(C(=O)N2CCC2)sc1C
InChIInChI=1S/C9H12N2OS/c1-6-7(2)13-8(10-6)9(12)11-4-3-5-11/h3-5H2,1-2H3
InChIKeyQZVXBNMNGAUHDY-UHFFFAOYSA-N
XLogP1.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 22382631
2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetic acid
CID 82406248
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113254660
(4-methyl-1,3-thiazol-2-yl)-piperidin-1-ylmethanone
CID 67514784
azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 110696169
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113259255
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 22106689
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide
CID 176866006
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384860
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80618423

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone (CID 130660365) is azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone is Cc1nc(C(=O)N2CCC2)sc1C.
What is the InChIKey of azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
The InChIKey is QZVXBNMNGAUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-7(2)13-8(10-6)9(12)11-4-3-5-11/h3-5H2,1-2H3.
What are the key properties of azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone?
azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone has a molecular weight of 196.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 130660365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).