2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

C10H18N2S — CID 129132956

IUPAC2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)(C)C1CN(C2=NCCS2)C1
InChIInChI=1S/C10H18N2S/c1-10(2,3)8-6-12(7-8)9-11-4-5-13-9/h8H,4-7H2,1-3H3
InChIKeyIFMVTOJQNGMALX-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.07
Rot. Bonds

About 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 129132956) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID129132956
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)(C)C1CN(C2=NCCS2)C1
InChIInChI=1S/C10H18N2S/c1-10(2,3)8-6-12(7-8)9-11-4-5-13-9/h8H,4-7H2,1-3H3
InChIKeyIFMVTOJQNGMALX-UHFFFAOYSA-N
XLogP2.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
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-(2-Methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
CID 123349441
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
2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine
CID 177262349

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (CID 129132956) is 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is CC(C)(C)C1CN(C2=NCCS2)C1.
What is the InChIKey of 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is IFMVTOJQNGMALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-10(2,3)8-6-12(7-8)9-11-4-5-13-9/h8H,4-7H2,1-3H3.
What are the key properties of 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 198.33 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 129132956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).