[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone

C15H20N4O2S — CID 138012375

IUPAC[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone
SMILESCOCCn1ccnc1C1N(C(=O)c2ccns2)CC1(C)C
InChIInChI=1S/C15H20N4O2S/c1-15(2)10-19(14(20)11-4-5-17-22-11)12(15)13-16-6-7-18(13)8-9-21-3/h4-7,12H,8-10H2,1-3H3
InChIKeyGZRSHBKWFAAYKA-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.21
Rot. Bonds5

About [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone

[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone (PubChem CID 138012375) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone
PubChem CID138012375
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone
SMILESCOCCn1ccnc1C1N(C(=O)c2ccns2)CC1(C)C
InChIInChI=1S/C15H20N4O2S/c1-15(2)10-19(14(20)11-4-5-17-22-11)12(15)13-16-6-7-18(13)8-9-21-3/h4-7,12H,8-10H2,1-3H3
InChIKeyGZRSHBKWFAAYKA-UHFFFAOYSA-N
XLogP2.21
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[2-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-2-oxoethyl]prop-2-enamide
CID 166407766
4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
CID 146104908
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane
CID 125454365
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
[3,3-dimethyl-2-(1-methylimidazol-2-yl)azetidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 167784318
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97122655
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 72919738
2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole
CID 125451880
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72847014

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone?
The IUPAC name of [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone (CID 138012375) is [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone.
What is the SMILES notation for [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone?
The canonical SMILES for [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone is COCCn1ccnc1C1N(C(=O)c2ccns2)CC1(C)C.
What is the InChIKey of [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone?
The InChIKey is GZRSHBKWFAAYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-15(2)10-19(14(20)11-4-5-17-22-11)12(15)13-16-6-7-18(13)8-9-21-3/h4-7,12H,8-10H2,1-3H3.
What are the key properties of [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone?
[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone has a molecular weight of 320.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 138012375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).