2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole

C11H16N2S2 — CID 115043922

IUPAC2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole
SMILESc1sc(C2CNC2)nc1C1CCCSC1
InChIInChI=1S/C11H16N2S2/c1-2-8(6-14-3-1)10-7-15-11(13-10)9-4-12-5-9/h7-9,12H,1-6H2
InChIKeyCVWDOGNKPZUCRH-UHFFFAOYSA-N
MW240.40 g/mol
LogP2.44
Rot. Bonds2

About 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole

2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole (PubChem CID 115043922) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole
PubChem CID115043922
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole
SMILESc1sc(C2CNC2)nc1C1CCCSC1
InChIInChI=1S/C11H16N2S2/c1-2-8(6-14-3-1)10-7-15-11(13-10)9-4-12-5-9/h7-9,12H,1-6H2
InChIKeyCVWDOGNKPZUCRH-UHFFFAOYSA-N
XLogP2.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 115042295
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558204
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088298
2-[2-(thian-3-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088245
2-bromo-4-(thiolan-3-yl)-1,3-thiazole
CID 115046672
4-cyclopentyl-2-piperidin-2-yl-1,3-thiazole
CID 62634064
3-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088318
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
4-(4-cyclohexyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 116965467

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole (CID 115043922) is 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole is c1sc(C2CNC2)nc1C1CCCSC1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole?
The InChIKey is CVWDOGNKPZUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-2-8(6-14-3-1)10-7-15-11(13-10)9-4-12-5-9/h7-9,12H,1-6H2.
What are the key properties of 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole?
2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole has a molecular weight of 240.40 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(thian-3-yl)-1,3-thiazole is sourced from PubChem (CID 115043922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).