2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole

C7H5BrN2OS2 — CID 131207073

IUPAC2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
SMILESBrc1cnc(CSc2ncco2)s1
InChIInChI=1S/C7H5BrN2OS2/c8-5-3-10-6(13-5)4-12-7-9-1-2-11-7/h1-3H,4H2
InChIKeyAKEKSDOKXCXMTJ-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.19
Rot. Bonds3

About 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole

2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole (PubChem CID 131207073) has the molecular formula C7H5BrN2OS2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
PubChem CID131207073
Molecular FormulaC7H5BrN2OS2
Molecular Weight277.17 g/mol
Exact Mass275.90
IUPAC Name2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
SMILESBrc1cnc(CSc2ncco2)s1
InChIInChI=1S/C7H5BrN2OS2/c8-5-3-10-6(13-5)4-12-7-9-1-2-11-7/h1-3H,4H2
InChIKeyAKEKSDOKXCXMTJ-UHFFFAOYSA-N
XLogP3.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106921258
2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole
CID 130685156
5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
CID 117188294
2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole
CID 106924329
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
CID 106923568
5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
CID 117259115
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106924322
N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927384
2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
CID 130608822
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106925799

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole (CID 131207073) is 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole is Brc1cnc(CSc2ncco2)s1.
What is the InChIKey of 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole?
The InChIKey is AKEKSDOKXCXMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS2/c8-5-3-10-6(13-5)4-12-7-9-1-2-11-7/h1-3H,4H2.
What are the key properties of 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole?
2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole has a molecular weight of 277.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 131207073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).