(5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C22H17N3OS — CID 19256284

IUPAC(5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCCCc1nc2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2n1
InChIInChI=1S/C22H17N3OS/c1-2-7-20-23-22-25(24-20)21(26)19(27-22)13-18-16-10-5-3-8-14(16)12-15-9-4-6-11-17(15)18/h3-6,8-13H,2,7H2,1H3/b19-13-
InChIKeyKDPLVMXSZVUUGY-UYRXBGFRSA-N
MW371.47 g/mol
LogP3.96
Rot. Bonds3

About (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 19256284) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID19256284
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name(5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCCCc1nc2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2n1
InChIInChI=1S/C22H17N3OS/c1-2-7-20-23-22-25(24-20)21(26)19(27-22)13-18-16-10-5-3-8-14(16)12-15-9-4-6-11-17(15)18/h3-6,8-13H,2,7H2,1H3/b19-13-
InChIKeyKDPLVMXSZVUUGY-UYRXBGFRSA-N
XLogP3.96
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(4-fluorophenyl)methylidene]-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256244
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256253
(5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256355
(5Z)-2-benzyl-5-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852896
(5Z)-2-ethyl-5-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256212
(5Z)-2-benzyl-5-[(2-chloro-6-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852940
(5Z)-5-[(4-bromophenyl)methylidene]-2-[2-(3,4-dimethoxyphenyl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 177166027
(5Z)-5-[(2-bromo-5-methoxyphenyl)methylidene]-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 177165975
(5Z)-5-[(4-nitrophenyl)methylidene]-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 177165951
[3-[(Z)-(2-benzyl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
CID 19256379
(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 177166022
6-[(2-chlorophenyl)methyl]-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3779753

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 19256284) is (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CCCc1nc2s/c(=C\c3c4ccccc4cc4ccccc34)c(=O)n2n1.
What is the InChIKey of (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is KDPLVMXSZVUUGY-UYRXBGFRSA-N. The full InChI is InChI=1S/C22H17N3OS/c1-2-7-20-23-22-25(24-20)21(26)19(27-22)13-18-16-10-5-3-8-14(16)12-15-9-4-6-11-17(15)18/h3-6,8-13H,2,7H2,1H3/b19-13-.
What are the key properties of (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 371.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 19256284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).