2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile

C19H14N2O3S — CID 13472608

IUPAC2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)c(C#N)c(=O)s2)cc1
InChIInChI=1S/C19H14N2O3S/c1-23-14-7-3-12(4-8-14)17-16(11-20)19(22)25-18(21-17)13-5-9-15(24-2)10-6-13/h3-10H,1-2H3
InChIKeyUAHSTTHWBURVPN-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.73
Rot. Bonds4

About 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile

2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile (PubChem CID 13472608) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile
PubChem CID13472608
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)c(C#N)c(=O)s2)cc1
InChIInChI=1S/C19H14N2O3S/c1-23-14-7-3-12(4-8-14)17-16(11-20)19(22)25-18(21-17)13-5-9-15(24-2)10-6-13/h3-10H,1-2H3
InChIKeyUAHSTTHWBURVPN-UHFFFAOYSA-N
XLogP3.73
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile
CID 12733556
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
2-(4-methoxyanilino)-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135491607
4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135483264
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
2-(4-methoxyphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975135
2-(butylamino)-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135434903
6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile
CID 11151661
2-benzylsulfanyl-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135530391
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
2-(4-methoxyanilino)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 135422401

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile (CID 13472608) is 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile is COc1ccc(-c2nc(-c3ccc(OC)cc3)c(C#N)c(=O)s2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile?
The InChIKey is UAHSTTHWBURVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-23-14-7-3-12(4-8-14)17-16(11-20)19(22)25-18(21-17)13-5-9-15(24-2)10-6-13/h3-10H,1-2H3.
What are the key properties of 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile?
2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile has a molecular weight of 350.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile is sourced from PubChem (CID 13472608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).