8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

C16H13ClN2OS — CID 23641035

IUPAC8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCCc1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2
InChIInChI=1S/C16H13ClN2OS/c1-2-13-18-16-12(21-13)8-7-11-14(16)15(19-20-11)9-3-5-10(17)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyNDVHCKTVGDPIQU-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.78
Rot. Bonds2

About 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole

8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (PubChem CID 23641035) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.

Molecular Properties

Compound Name8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
PubChem CID23641035
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
SMILESCCc1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2
InChIInChI=1S/C16H13ClN2OS/c1-2-13-18-16-12(21-13)8-7-11-14(16)15(19-20-11)9-3-5-10(17)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyNDVHCKTVGDPIQU-UHFFFAOYSA-N
XLogP4.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The IUPAC name of 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole (CID 23641035) is 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole.
What is the SMILES notation for 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The canonical SMILES for 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is CCc1nc2c(s1)CCc1onc(-c3ccc(Cl)cc3)c1-2.
What is the InChIKey of 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
The InChIKey is NDVHCKTVGDPIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-2-13-18-16-12(21-13)8-7-11-14(16)15(19-20-11)9-3-5-10(17)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole?
8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole has a molecular weight of 316.81 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-2-ethyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole is sourced from PubChem (CID 23641035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).