2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole

C10H18N2S — CID 123349441

IUPAC2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCC(C)CC1CN(C2=NCCS2)C1
InChIInChI=1S/C10H18N2S/c1-8(2)5-9-6-12(7-9)10-11-3-4-13-10/h8-9H,3-7H2,1-2H3
InChIKeyDTLRURXIUQGCCP-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.07
Rot. Bonds2

About 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole

2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 123349441) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID123349441
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCC(C)CC1CN(C2=NCCS2)C1
InChIInChI=1S/C10H18N2S/c1-8(2)5-9-6-12(7-9)10-11-3-4-13-10/h8-9H,3-7H2,1-2H3
InChIKeyDTLRURXIUQGCCP-UHFFFAOYSA-N
XLogP2.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59936374
2-(3-Propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 89432899
2-(3-Tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129132956
2-(3-Ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129141127
2-[3-(3-Methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
CID 129141128
Ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 143658662

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole (CID 123349441) is 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole is CC(C)CC1CN(C2=NCCS2)C1.
What is the InChIKey of 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is DTLRURXIUQGCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)5-9-6-12(7-9)10-11-3-4-13-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole?
2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 198.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 123349441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).