5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine

C19H20ClN5O2S2 — CID 123883866

IUPAC5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
SMILESCCc1nc(-c2cc(Cl)c(C3(C)CS(=O)N(C)C(N)=N3)s2)oc1-c1cccnc1
InChIInChI=1S/C19H20ClN5O2S2/c1-4-13-15(11-6-5-7-22-9-11)27-17(23-13)14-8-12(20)16(28-14)19(2)10-29(26)25(3)18(21)24-19/h5-9H,4,10H2,1-3H3,(H2,21,24)
InChIKeyVTFNWUKHPMUKFM-UHFFFAOYSA-N
MW449.99 g/mol
LogP3.82
Rot. Bonds4

About 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine

5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 123883866) has the molecular formula C19H20ClN5O2S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID123883866
Molecular FormulaC19H20ClN5O2S2
Molecular Weight449.99 g/mol
Exact Mass449.07
IUPAC Name5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
SMILESCCc1nc(-c2cc(Cl)c(C3(C)CS(=O)N(C)C(N)=N3)s2)oc1-c1cccnc1
InChIInChI=1S/C19H20ClN5O2S2/c1-4-13-15(11-6-5-7-22-9-11)27-17(23-13)14-8-12(20)16(28-14)19(2)10-29(26)25(3)18(21)24-19/h5-9H,4,10H2,1-3H3,(H2,21,24)
InChIKeyVTFNWUKHPMUKFM-UHFFFAOYSA-N
XLogP3.82
TPSA97.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Related Compounds

(5S)-5-[3-chloro-5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 134480688
5-[3-chloro-5-[4-ethyl-5-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123355310
(5S)-5-[3-chloro-5-[5-(1,3-oxazol-5-yl)-3-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 134480293
2-(5-chlorothiophen-2-yl)-4-ethyl-5-pyridin-3-yl-1,3-oxazole
CID 67547390
(5S)-5-[3-chloro-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 144610292
(5S)-5-[3-chloro-5-[5-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 134423050
N,N'-diamino-N-[4-[5-[5-[(5S)-3-amino-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorothiophen-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanimidamide
CID 134422999
(5S)-5-[5-[4-[amino-[(Z)-2-aminoethenyl]amino]phenyl]-3-chlorothiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 134480114
(5S)-5-[3-chloro-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 118406552
5-[3-chloro-5-(5-phenyl-1H-pyrrol-2-yl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 123332386
(5S)-5-[3-chloro-5-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 158489586
(5S)-5-[3-chloro-5-[5-(4-pyrazol-1-ylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl]-2,5-dimethyl-1-methylidene-1-oxo-6H-1,2,4-thiadiazin-3-amine
CID 159847116

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine (CID 123883866) is 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine is CCc1nc(-c2cc(Cl)c(C3(C)CS(=O)N(C)C(N)=N3)s2)oc1-c1cccnc1.
What is the InChIKey of 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is VTFNWUKHPMUKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S2/c1-4-13-15(11-6-5-7-22-9-11)27-17(23-13)14-8-12(20)16(28-14)19(2)10-29(26)25(3)18(21)24-19/h5-9H,4,10H2,1-3H3,(H2,21,24).
What are the key properties of 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine?
5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 449.99 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(4-ethyl-5-pyridin-3-yl-1,3-oxazol-2-yl)thiophen-2-yl]-2,5-dimethyl-1-oxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 123883866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).