4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole

C14H7Cl3N2O2S — CID 173495394

IUPAC4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole
SMILESCc1cc2c(cc1Cl)N/C(=C/c1nc3c(Cl)oc(Cl)c3s1)O2
InChIInChI=1S/C14H7Cl3N2O2S/c1-5-2-8-7(3-6(5)15)18-9(20-8)4-10-19-11-12(22-10)14(17)21-13(11)16/h2-4,18H,1H3/b9-4-
InChIKeyJBRIRYHTMKBAPM-WTKPLQERSA-N
MW373.65 g/mol
LogP5.96
Rot. Bonds1

About 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole

4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole (PubChem CID 173495394) has the molecular formula C14H7Cl3N2O2S and a molecular weight of 373.65 g/mol. Its IUPAC name is 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole
PubChem CID173495394
Molecular FormulaC14H7Cl3N2O2S
Molecular Weight373.65 g/mol
Exact Mass371.93
IUPAC Name4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole
SMILESCc1cc2c(cc1Cl)N/C(=C/c1nc3c(Cl)oc(Cl)c3s1)O2
InChIInChI=1S/C14H7Cl3N2O2S/c1-5-2-8-7(3-6(5)15)18-9(20-8)4-10-19-11-12(22-10)14(17)21-13(11)16/h2-4,18H,1H3/b9-4-
InChIKeyJBRIRYHTMKBAPM-WTKPLQERSA-N
XLogP5.96
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole?
The IUPAC name of 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole (CID 173495394) is 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole.
What is the SMILES notation for 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole?
The canonical SMILES for 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole is Cc1cc2c(cc1Cl)N/C(=C/c1nc3c(Cl)oc(Cl)c3s1)O2.
What is the InChIKey of 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole?
The InChIKey is JBRIRYHTMKBAPM-WTKPLQERSA-N. The full InChI is InChI=1S/C14H7Cl3N2O2S/c1-5-2-8-7(3-6(5)15)18-9(20-8)4-10-19-11-12(22-10)14(17)21-13(11)16/h2-4,18H,1H3/b9-4-.
What are the key properties of 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole?
4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole has a molecular weight of 373.65 g/mol, XLogP of 5.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(Z)-(5-chloro-6-methyl-3H-1,3-benzoxazol-2-ylidene)methyl]furo[3,4-d][1,3]thiazole is sourced from PubChem (CID 173495394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).