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

C8H14N2S — CID 90305509

IUPAC4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1NC(CN2CCC2)=CS1
InChIInChI=1S/C8H14N2S/c1-7-9-8(6-11-7)5-10-3-2-4-10/h6-7,9H,2-5H2,1H3
InChIKeyBLOHXMWBPNMQSJ-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.22
Rot. Bonds2

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

4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 90305509) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole
PubChem CID90305509
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1NC(CN2CCC2)=CS1
InChIInChI=1S/C8H14N2S/c1-7-9-8(6-11-7)5-10-3-2-4-10/h6-7,9H,2-5H2,1H3
InChIKeyBLOHXMWBPNMQSJ-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole (CID 90305509) is 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole is CC1NC(CN2CCC2)=CS1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is BLOHXMWBPNMQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-7-9-8(6-11-7)5-10-3-2-4-10/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole?
4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 170.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-2-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 90305509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).