2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole

C10H16N2S — CID 131132321

IUPAC2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CN2C(C)CC2C)n1
InChIInChI=1S/C10H16N2S/c1-7-6-13-10(11-7)5-12-8(2)4-9(12)3/h6,8-9H,4-5H2,1-3H3
InChIKeyWQUMYNAEKPEKSB-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.43
Rot. Bonds2

About 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole

2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 131132321) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID131132321
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CN2C(C)CC2C)n1
InChIInChI=1S/C10H16N2S/c1-7-6-13-10(11-7)5-12-8(2)4-9(12)3/h6,8-9H,4-5H2,1-3H3
InChIKeyWQUMYNAEKPEKSB-UHFFFAOYSA-N
XLogP2.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 81210645
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CID 64945713
2-ethyl-4-methyl-1,3-thiazole
CID 27440
2-[(3-bromopiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 80680098
azane;2-ethyl-4-methyl-1,3-thiazole
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3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole
CID 115314298
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CID 133138539
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64752621
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64936843
2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64933085

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole (CID 131132321) is 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole is Cc1csc(CN2C(C)CC2C)n1.
What is the InChIKey of 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is WQUMYNAEKPEKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-6-13-10(11-7)5-12-8(2)4-9(12)3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole?
2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 131132321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).