(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C20H14N4O2S — CID 2001390

IUPAC(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccccc1-c1nc2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2n1
InChIInChI=1S/C20H14N4O2S/c1-11-7-3-4-8-12(11)17-21-20-24(22-17)19(26)16(27-20)15-13-9-5-6-10-14(13)23(2)18(15)25/h3-10H,1-2H3/b16-15-
InChIKeyJONCKPYZZPZYHV-NXVVXOECSA-N
MW374.43 g/mol
LogP2.02
Rot. Bonds1

About (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 2001390) has the molecular formula C20H14N4O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID2001390
Molecular FormulaC20H14N4O2S
Molecular Weight374.43 g/mol
Exact Mass374.08
IUPAC Name(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccccc1-c1nc2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2n1
InChIInChI=1S/C20H14N4O2S/c1-11-7-3-4-8-12(11)17-21-20-24(22-17)19(26)16(27-20)15-13-9-5-6-10-14(13)23(2)18(15)25/h3-10H,1-2H3/b16-15-
InChIKeyJONCKPYZZPZYHV-NXVVXOECSA-N
XLogP2.02
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 2001390) is (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccccc1-c1nc2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2n1.
What is the InChIKey of (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is JONCKPYZZPZYHV-NXVVXOECSA-N. The full InChI is InChI=1S/C20H14N4O2S/c1-11-7-3-4-8-12(11)17-21-20-24(22-17)19(26)16(27-20)15-13-9-5-6-10-14(13)23(2)18(15)25/h3-10H,1-2H3/b16-15-.
What are the key properties of (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 374.43 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 2001390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).