3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole

C11H10N2OS3 — CID 47021155

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
SMILESc1csc(-c2cc(CSC3=NCCS3)no2)c1
InChIInChI=1S/C11H10N2OS3/c1-2-10(15-4-1)9-6-8(13-14-9)7-17-11-12-3-5-16-11/h1-2,4,6H,3,5,7H2
InChIKeyVCZBIFOTUUUUHI-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.74
Rot. Bonds3

About 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole

3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole (PubChem CID 47021155) has the molecular formula C11H10N2OS3 and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
PubChem CID47021155
Molecular FormulaC11H10N2OS3
Molecular Weight282.41 g/mol
Exact Mass282.00
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
SMILESc1csc(-c2cc(CSC3=NCCS3)no2)c1
InChIInChI=1S/C11H10N2OS3/c1-2-10(15-4-1)9-6-8(13-14-9)7-17-11-12-3-5-16-11/h1-2,4,6H,3,5,7H2
InChIKeyVCZBIFOTUUUUHI-UHFFFAOYSA-N
XLogP3.74
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79134577
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590345
2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79146830
4-chloro-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79528047
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8942054
3-(butylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 112795792
3-methyl-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8749191
3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
CID 170887655
4,6-dimethyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 40690388
3-[(4-fluorophenyl)methyl]-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 8949612
3-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole
CID 16620290
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19727730

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole (CID 47021155) is 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole is c1csc(-c2cc(CSC3=NCCS3)no2)c1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is VCZBIFOTUUUUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS3/c1-2-10(15-4-1)9-6-8(13-14-9)7-17-11-12-3-5-16-11/h1-2,4,6H,3,5,7H2.
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole?
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole has a molecular weight of 282.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 47021155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).