2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole

C12H20N2S — CID 105482444

IUPAC2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole
SMILESCc1sc(CC2CNC2)nc1CC(C)C
InChIInChI=1S/C12H20N2S/c1-8(2)4-11-9(3)15-12(14-11)5-10-6-13-7-10/h8,10,13H,4-7H2,1-3H3
InChIKeyGMKBLEGADBZCNW-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.41
Rot. Bonds4

About 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole

2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole (PubChem CID 105482444) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole
PubChem CID105482444
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole
SMILESCc1sc(CC2CNC2)nc1CC(C)C
InChIInChI=1S/C12H20N2S/c1-8(2)4-11-9(3)15-12(14-11)5-10-6-13-7-10/h8,10,13H,4-7H2,1-3H3
InChIKeyGMKBLEGADBZCNW-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-oxazole
CID 105462160
[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362179
2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115042271
ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole
CID 143926152
2-chloro-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 55265009
N-[[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369734
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
2-(azetidin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 115020034
5-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-1H-imidazole
CID 105447579
4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116829012
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362262

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole (CID 105482444) is 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole is Cc1sc(CC2CNC2)nc1CC(C)C.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole?
The InChIKey is GMKBLEGADBZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)4-11-9(3)15-12(14-11)5-10-6-13-7-10/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole?
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole has a molecular weight of 224.37 g/mol, XLogP of 2.41, 4 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-methyl-4-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 105482444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).