4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole

C14H16N2S2 — CID 66290520

IUPAC4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole
SMILESc1ccc(-c2nc(CSCC3CNC3)cs2)cc1
InChIInChI=1S/C14H16N2S2/c1-2-4-12(5-3-1)14-16-13(10-18-14)9-17-8-11-6-15-7-11/h1-5,10-11,15H,6-9H2
InChIKeyNOADMNOJBOMKIV-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.26
Rot. Bonds5

About 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole

4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole (PubChem CID 66290520) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole
PubChem CID66290520
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole
SMILESc1ccc(-c2nc(CSCC3CNC3)cs2)cc1
InChIInChI=1S/C14H16N2S2/c1-2-4-12(5-3-1)14-16-13(10-18-14)9-17-8-11-6-15-7-11/h1-5,10-11,15H,6-9H2
InChIKeyNOADMNOJBOMKIV-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
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ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione
CID 46575595
(2-phenyl-1,3-thiazol-4-yl)methyl N'-aminocarbamimidothioate
CID 77060944
3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine
CID 116888902
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300567
2-(4-ethylphenyl)-4-(ethylsulfanylmethyl)-1,3-thiazole
CID 145363293
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole (CID 66290520) is 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole is c1ccc(-c2nc(CSCC3CNC3)cs2)cc1.
What is the InChIKey of 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole?
The InChIKey is NOADMNOJBOMKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-2-4-12(5-3-1)14-16-13(10-18-14)9-17-8-11-6-15-7-11/h1-5,10-11,15H,6-9H2.
What are the key properties of 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole?
4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole has a molecular weight of 276.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 66290520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).