2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole

C10H16N2S — CID 105450257

IUPAC2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(CC2CNC2)s1
InChIInChI=1S/C10H16N2S/c1-7(2)9-6-12-10(13-9)3-8-4-11-5-8/h6-8,11H,3-5H2,1-2H3
InChIKeyXSYFBFXTYBNWHE-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.03
Rot. Bonds3

About 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole

2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 105450257) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
PubChem CID105450257
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(CC2CNC2)s1
InChIInChI=1S/C10H16N2S/c1-7(2)9-6-12-10(13-9)3-8-4-11-5-8/h6-8,11H,3-5H2,1-2H3
InChIKeyXSYFBFXTYBNWHE-UHFFFAOYSA-N
XLogP2.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethyl)-5-propan-2-yl-1H-imidazole
CID 105438389
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
CID 115090169
1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 104517036
2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole
CID 58350063
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090223
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090233
N-methyl-1-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 115091138
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 105482444
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115091052
2-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115090067
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115090076
5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole
CID 105447579

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole (CID 105450257) is 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole is CC(C)c1cnc(CC2CNC2)s1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is XSYFBFXTYBNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)9-6-12-10(13-9)3-8-4-11-5-8/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole?
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 105450257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).