2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole

C10H14N2S — CID 105448612

IUPAC2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
SMILESc1sc(CC2CNC2)nc1C1CC1
InChIInChI=1S/C10H14N2S/c1-2-8(1)9-6-13-10(12-9)3-7-4-11-5-7/h6-8,11H,1-5H2
InChIKeyHBDXNKBJPHDAME-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.78
Rot. Bonds3

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

2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole (PubChem CID 105448612) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
PubChem CID105448612
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
SMILESc1sc(CC2CNC2)nc1C1CC1
InChIInChI=1S/C10H14N2S/c1-2-8(1)9-6-13-10(12-9)3-7-4-11-5-7/h6-8,11H,1-5H2
InChIKeyHBDXNKBJPHDAME-UHFFFAOYSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethyl)-4-piperidin-4-yl-1,3-thiazole
CID 115042296
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
2-(cyclopropylmethyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853410
2-(cyclopropylmethyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853446
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
2-(methoxymethyl)-4-piperidin-4-yl-1,3-thiazole
CID 82276880
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole (CID 105448612) is 2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole is c1sc(CC2CNC2)nc1C1CC1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole?
The InChIKey is HBDXNKBJPHDAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-8(1)9-6-13-10(12-9)3-7-4-11-5-7/h6-8,11H,1-5H2.
What are the key properties of 2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole?
2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole has a molecular weight of 194.30 g/mol, XLogP of 1.78, 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)-4-cyclopropyl-1,3-thiazole is sourced from PubChem (CID 105448612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).