(6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C21H19ClN4OS — CID 2185720

IUPAC(6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
InChIInChI=1S/C21H19ClN4OS/c1-3-25(4-2)15-11-9-14(10-12-15)13-18-20(27)26-19(23-24-21(26)28-18)16-7-5-6-8-17(16)22/h5-13H,3-4H2,1-2H3/b18-13-
InChIKeyACQINELRTJJBKZ-AQTBWJFISA-N
MW410.93 g/mol
LogP3.87
Rot. Bonds5

About (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

(6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 2185720) has the molecular formula C21H19ClN4OS and a molecular weight of 410.93 g/mol. Its IUPAC name is (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID2185720
Molecular FormulaC21H19ClN4OS
Molecular Weight410.93 g/mol
Exact Mass410.10
IUPAC Name(6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
InChIInChI=1S/C21H19ClN4OS/c1-3-25(4-2)15-11-9-14(10-12-15)13-18-20(27)26-19(23-24-21(26)28-18)16-7-5-6-8-17(16)22/h5-13H,3-4H2,1-2H3/b18-13-
InChIKeyACQINELRTJJBKZ-AQTBWJFISA-N
XLogP3.87
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
CID 662661
4-[3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
CID 663169
6-[4-(diethylamino)benzylidene]-3-(2-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
CID 1814043
2-[[5-(2-Chlorophenyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 2095442
5-({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole
CID 4918937
(5Z)-5-[4-(dimethylamino)benzylidene]-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
CID 5938244
(Z)-6-(4-(dimethylamino)benzylidene)-3-(o-tolyl)thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
CID 1993601
4-[3-(2-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
CID 1985570
Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 6-((4-(diethylamino)phenyl)methylene)-3-methyl-
CID 926134
Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 6-((4-chlorophenyl)methylene)-3-phenyl-
CID 1636979
Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 6-((4-(dimethylamino)phenyl)methylene)-3-methyl-
CID 24846831
2-[[5-(2-chlorophenyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 2411546

Frequently Asked Questions

What is the IUPAC name of (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 2185720) is (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1.
What is the InChIKey of (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is ACQINELRTJJBKZ-AQTBWJFISA-N. The full InChI is InChI=1S/C21H19ClN4OS/c1-3-25(4-2)15-11-9-14(10-12-15)13-18-20(27)26-19(23-24-21(26)28-18)16-7-5-6-8-17(16)22/h5-13H,3-4H2,1-2H3/b18-13-.
What are the key properties of (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 410.93 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-(2-chlorophenyl)-6-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 2185720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).